(6R)-1-N-cycloheptyl-7-cyclopropyl-6-N-[(2-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

C27H35N5O4 — CID 95072899

About (6R)-1-N-cycloheptyl-7-cyclopropyl-6-N-[(2-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

(6R)-1-N-cycloheptyl-7-cyclopropyl-6-N-[(2-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 95072899) has the molecular formula C27H35N5O4 and a molecular weight of 493.61 g/mol. Its IUPAC name is (6R)-1-N-cycloheptyl-7-cyclopropyl-6-N-[(2-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

• Compound Name: (6R)-1-N-cycloheptyl-7-cyclopropyl-6-N-[(2-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• PubChem CID: 95072899
• Molecular Formula: C27H35N5O4
• Molecular Weight: 493.61 g/mol
• Exact Mass: 493.27
• IUPAC Name: (6R)-1-N-cycloheptyl-7-cyclopropyl-6-N-[(2-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
• SMILES: COc1ccccc1CNC(=O)[C@@]1(C)Cn2cnc(C(=O)NC3CCCCCC3)c2C(=O)N1C1CC1
• InChI: InChI=1S/C27H35N5O4/c1-27(26(35)28-15-18-9-7-8-12-21(18)36-2)16-31-17-29-22(23(31)25(34)32(27)20-13-14-20)24(33)30-19-10-5-3-4-6-11-19/h7-9,12,17,19-20H,3-6,10-11,13-16H2,1-2H3,(H,28,35)(H,30,33)/t27-/m1/s1
• InChIKey: ZLNSCWBMESMUDE-HHHXNRCGSA-N
• XLogP: 3.04
• TPSA: 105.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.61
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6R)-1-N-cycloheptyl-7-cyclopropyl-6-N-[(2-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The IUPAC name of (6R)-1-N-cycloheptyl-7-cyclopropyl-6-N-[(2-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 95072899) is (6R)-1-N-cycloheptyl-7-cyclopropyl-6-N-[(2-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

What is the SMILES notation for (6R)-1-N-cycloheptyl-7-cyclopropyl-6-N-[(2-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The canonical SMILES for (6R)-1-N-cycloheptyl-7-cyclopropyl-6-N-[(2-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is COc1ccccc1CNC(=O)[C@@]1(C)Cn2cnc(C(=O)NC3CCCCCC3)c2C(=O)N1C1CC1.

What is the InChIKey of (6R)-1-N-cycloheptyl-7-cyclopropyl-6-N-[(2-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

The InChIKey is ZLNSCWBMESMUDE-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H35N5O4/c1-27(26(35)28-15-18-9-7-8-12-21(18)36-2)16-31-17-29-22(23(31)25(34)32(27)20-13-14-20)24(33)30-19-10-5-3-4-6-11-19/h7-9,12,17,19-20H,3-6,10-11,13-16H2,1-2H3,(H,28,35)(H,30,33)/t27-/m1/s1.

What are the key properties of (6R)-1-N-cycloheptyl-7-cyclopropyl-6-N-[(2-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?

(6R)-1-N-cycloheptyl-7-cyclopropyl-6-N-[(2-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 493.61 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-1-N-cycloheptyl-7-cyclopropyl-6-N-[(2-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 95072899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).