1-[2-oxo-2-[(1S,3S,5S)-3-[[(3S)-3-phenylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide

C27H30N6O3 — CID 72943832

About 1-[2-oxo-2-[(1S,3S,5S)-3-[[(3S)-3-phenylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide

1-[2-oxo-2-[(1S,3S,5S)-3-[[(3S)-3-phenylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 72943832) has the molecular formula C27H30N6O3 and a molecular weight of 486.58 g/mol. Its IUPAC name is 1-[2-oxo-2-[(1S,3S,5S)-3-[[(3S)-3-phenylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-oxo-2-[(1S,3S,5S)-3-[[(3S)-3-phenylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
• PubChem CID: 72943832
• Molecular Formula: C27H30N6O3
• Molecular Weight: 486.58 g/mol
• Exact Mass: 486.24
• IUPAC Name: 1-[2-oxo-2-[(1S,3S,5S)-3-[[(3S)-3-phenylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
• SMILES: NC(=O)c1nn(CC(=O)N2[C@H](C(=O)NC3CCC[C@H](c4ccccc4)C3)C[C@@H]3C[C@@H]32)c2cnccc12
• InChI: InChI=1S/C27H30N6O3/c28-26(35)25-20-9-10-29-14-23(20)32(31-25)15-24(34)33-21-12-18(21)13-22(33)27(36)30-19-8-4-7-17(11-19)16-5-2-1-3-6-16/h1-3,5-6,9-10,14,17-19,21-22H,4,7-8,11-13,15H2,(H2,28,35)(H,30,36)/t17-,18-,19?,21-,22-/m0/s1
• InChIKey: KTCYDLCEZQOKFV-NTOXXCCWSA-N
• XLogP: 2.36
• TPSA: 123.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.58
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[(1S,3S,5S)-3-[[(3S)-3-phenylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?

The IUPAC name of 1-[2-oxo-2-[(1S,3S,5S)-3-[[(3S)-3-phenylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (CID 72943832) is 1-[2-oxo-2-[(1S,3S,5S)-3-[[(3S)-3-phenylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide.

What is the SMILES notation for 1-[2-oxo-2-[(1S,3S,5S)-3-[[(3S)-3-phenylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?

The canonical SMILES for 1-[2-oxo-2-[(1S,3S,5S)-3-[[(3S)-3-phenylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide is NC(=O)c1nn(CC(=O)N2[C@H](C(=O)NC3CCC[C@H](c4ccccc4)C3)C[C@@H]3C[C@@H]32)c2cnccc12.

What is the InChIKey of 1-[2-oxo-2-[(1S,3S,5S)-3-[[(3S)-3-phenylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?

The InChIKey is KTCYDLCEZQOKFV-NTOXXCCWSA-N. The full InChI is InChI=1S/C27H30N6O3/c28-26(35)25-20-9-10-29-14-23(20)32(31-25)15-24(34)33-21-12-18(21)13-22(33)27(36)30-19-8-4-7-17(11-19)16-5-2-1-3-6-16/h1-3,5-6,9-10,14,17-19,21-22H,4,7-8,11-13,15H2,(H2,28,35)(H,30,36)/t17-,18-,19?,21-,22-/m0/s1.

What are the key properties of 1-[2-oxo-2-[(1S,3S,5S)-3-[[(3S)-3-phenylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?

1-[2-oxo-2-[(1S,3S,5S)-3-[[(3S)-3-phenylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 486.58 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-oxo-2-[(1S,3S,5S)-3-[[(3S)-3-phenylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 72943832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).