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Also known as: Verducatib [inn], Lpo8ev0qns, Orb2944702, Chembl5942494, Schembl17584767, Bdbm201012

Molecular Formula

C₃₁H₃₅FN₄O₃

Molecular Weight

530.6 g/mol

InChI Key

MIBKKDLVBYJWTB-AIKBEYBBSA-N

FDA UNII

LPO8EV0QNS

1 2D Structure

Verducatib

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R,3S,4S)-N-[(1S)-1-cyano-2-[2-fluoro-4-[1'-(oxetan-3-yl)spiro[1H-2-benzofuran-3,4'-piperidine]-5-yl]phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide

2.1.2 InChI

InChI=1S/C31H35FN4O3/c32-28-14-20(1-3-21(28)11-25(15-33)35-30(37)29-22-5-6-24(12-22)34-29)19-2-4-23-16-39-31(27(23)13-19)7-9-36(10-8-31)26-17-38-18-26/h1-4,13-14,22,24-26,29,34H,5-12,16-18H2,(H,35,37)/t22-,24+,25-,29-/m0/s1

2.1.3 InChI Key

MIBKKDLVBYJWTB-AIKBEYBBSA-N

2.2 Other Identifiers

2.2.1 UNII

LPO8EV0QNS

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Verducatib [inn]

2. Lpo8ev0qns

3. Orb2944702

4. Chembl5942494

5. Schembl17584767

6. Bdbm201012

7. Hy-172242

8. Us9540373, 1

9. T205396

10. 1887236-33-0

2.4 Create Date

2016-04-09

3 Chemical and Physical Properties

Molecular Formula	C₃₁H₃₅FN₄O₃
Molecular Weight	530.6 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	86.6
Heavy Atom Count	39
Formal Charge	0
Complexity	959
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Drugs in Development

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Verducatib

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1 Drugs in Development

ACTIVE PHARMA INGREDIENTS

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1DRUGS IN DEVELOPMENT

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