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Olorofim

Olorofim

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Also known as: F-901318, F901318, 1928707-56-5, T34sh2h9hi, 2-(1,5-dimethyl-3-phenyl-pyrrol-2-yl)-n-(4-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)phenyl)-2-oxo-acetamide, Olorofim [inn]

Molecular Formula

C₂₈H₂₇FN₆O₂

Molecular Weight

498.6 g/mol

InChI Key

SUFPWYYDCOKDLL-UHFFFAOYSA-N

FDA UNII

T34SH2H9HI

Olorofim is a systemic antifungal agent that can potentially be used in the treatment of systemic fungal infections.

1 2D Structure

Olorofim

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]phenyl]-2-oxoacetamide

2.1.2 InChI

InChI=1S/C28H27FN6O2/c1-19-16-24(20-6-4-3-5-7-20)25(33(19)2)26(36)27(37)32-22-8-10-23(11-9-22)34-12-14-35(15-13-34)28-30-17-21(29)18-31-28/h3-11,16-18H,12-15H2,1-2H3,(H,32,37)

2.1.3 InChI Key

SUFPWYYDCOKDLL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=C(N1C)C(=O)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C4=NC=C(C=N4)F)C5=CC=CC=C5

2.2 Other Identifiers

2.2.1 UNII

T34SH2H9HI

2.3 Synonyms

2.3.1 MeSH Synonyms

1. F901318

2.3.2 Depositor-Supplied Synonyms

1. F-901318

2. F901318

3. 1928707-56-5

4. T34sh2h9hi

5. 2-(1,5-dimethyl-3-phenyl-pyrrol-2-yl)-n-(4-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)phenyl)-2-oxo-acetamide

6. Olorofim [inn]

7. Olorofim [who-dd]

8. Unii-t34sh2h9hi

9. Chembl4297609

10. Schembl17767345

11. Glxc-25141

12. Bcp25872

13. Bdbm50526857

14. Db15245

15. Sb19827

16. F901318; F 901318; Olorofim

17. Hy-104029

18. Cs-0025660

19. Q27896127

20. 1h-pyrrole-2-acetamide, N-(4-(4-(5-fluoro-2-pyrimidinyl)-1-piperazinyl)phenyl)-1,5-dimethyl-.alpha.-oxo-3-phenyl-

21. 1h-pyrrole-2-acetamide, N-(4-(4-(5-fluoro-2-pyrimidinyl)-1-piperazinyl)phenyl)-1,5-dimethyl-alpha-oxo-3-phenyl-

2.4 Create Date

2015-09-28

3 Chemical and Physical Properties

Molecular Formula	C₂₈H₂₇FN₆O₂
Molecular Weight	498.6 g/mol
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	498.21795229 g/mol
Monoisotopic Mass	498.21795229 g/mol
Topological Polar Surface Area	83.4 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	771
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Antifungal Agents

Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues. (See all compounds classified as Antifungal Agents.)