Lorundrostat

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Also known as: Lorundrostat [inn], Ka8w5lds6z, 1-piperazineacetamide, n-(trans-4-(acetylamino)cyclohexyl)-4-(5-(4-methylphenyl)-1,2,4-triazin-3-yl)-, 1820940-17-7, N-(trans-4-(acetylamino)cyclohexyl)-4-(5-(4-methylphenyl)-1,2,4-triazin-3-yl)-1-piperazineacetamide, N-(trans-4-acetamidocyclohexyl)-2-(4-(5-(4- methylphenyl)-1,2,4-triazin-3-yl)piperazin-1- yl)acetamide

Molecular Formula

C₂₄H₃₃N₇O₂

Molecular Weight

451.6 g/mol

InChI Key

YHGVDZULVMINCJ-UHFFFAOYSA-N

FDA UNII

KA8W5LDS6Z

1 2D Structure

Lorundrostat

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-(4-acetamidocyclohexyl)-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide

2.1.2 InChI

InChI=1S/C24H33N7O2/c1-17-3-5-19(6-4-17)22-15-25-29-24(28-22)31-13-11-30(12-14-31)16-23(33)27-21-9-7-20(8-10-21)26-18(2)32/h3-6,15,20-21H,7-14,16H2,1-2H3,(H,26,32)(H,27,33)

2.1.3 InChI Key

YHGVDZULVMINCJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC=C(C=C1)C2=CN=NC(=N2)N3CCN(CC3)CC(=O)NC4CCC(CC4)NC(=O)C

2.2 Other Identifiers

2.2.1 UNII

KA8W5LDS6Z

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Lorundrostat [inn]

2. Ka8w5lds6z

3. 1-piperazineacetamide, N-(trans-4-(acetylamino)cyclohexyl)-4-(5-(4-methylphenyl)-1,2,4-triazin-3-yl)-

4. 1820940-17-7

5. N-(trans-4-(acetylamino)cyclohexyl)-4-(5-(4-methylphenyl)-1,2,4-triazin-3-yl)-1-piperazineacetamide

6. N-(trans-4-acetamidocyclohexyl)-2-(4-(5-(4- Methylphenyl)-1,2,4-triazin-3-yl)piperazin-1- Yl)acetamide

7. N-(trans-4-acetamidocyclohexyl)-2-{4-[5-(4- Methylphenyl)-1,2,4-triazin-3-yl]piperazin-1- Yl}acetamide

8. Unii-ka8w5lds6z

9. Schembl18489931

10. Bdbm280280

11. Us10029993, Example 48

12. Hy-147277

13. Cs-0542644

2.4 Create Date

2017-04-22

3 Chemical and Physical Properties

Molecular Formula	C₂₄H₃₃N₇O₂
Molecular Weight	451.6 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	103
Heavy Atom Count	33
Formal Charge	0
Complexity	639
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