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

C26H28N6O3 — CID 72943834

About 1-[2-oxo-2-[(1S,3S,5S)-3-[[(3R)-3-phenylcyclopentyl]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-[[(3R)-3-phenylcyclopentyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 72943834) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is 1-[2-oxo-2-[(1S,3S,5S)-3-[[(3R)-3-phenylcyclopentyl]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-[[(3R)-3-phenylcyclopentyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
• PubChem CID: 72943834
• Molecular Formula: C26H28N6O3
• Molecular Weight: 472.55 g/mol
• Exact Mass: 472.22
• IUPAC Name: 1-[2-oxo-2-[(1S,3S,5S)-3-[[(3R)-3-phenylcyclopentyl]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)NC3CC[C@@H](c4ccccc4)C3)C[C@@H]3C[C@@H]32)c2cnccc12
• InChI: InChI=1S/C26H28N6O3/c27-25(34)24-19-8-9-28-13-22(19)31(30-24)14-23(33)32-20-11-17(20)12-21(32)26(35)29-18-7-6-16(10-18)15-4-2-1-3-5-15/h1-5,8-9,13,16-18,20-21H,6-7,10-12,14H2,(H2,27,34)(H,29,35)/t16-,17+,18?,20+,21+/m1/s1
• InChIKey: SRBUSBKCBWFLNZ-SPWWADKVSA-N
• XLogP: 1.97
• TPSA: 123.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.55
LogP ≤ 5	1.97
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-[[(3R)-3-phenylcyclopentyl]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-[[(3R)-3-phenylcyclopentyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (CID 72943834) is 1-[2-oxo-2-[(1S,3S,5S)-3-[[(3R)-3-phenylcyclopentyl]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-[[(3R)-3-phenylcyclopentyl]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-[[(3R)-3-phenylcyclopentyl]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)NC3CC[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-[[(3R)-3-phenylcyclopentyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?

The InChIKey is SRBUSBKCBWFLNZ-SPWWADKVSA-N. The full InChI is InChI=1S/C26H28N6O3/c27-25(34)24-19-8-9-28-13-22(19)31(30-24)14-23(33)32-20-11-17(20)12-21(32)26(35)29-18-7-6-16(10-18)15-4-2-1-3-5-15/h1-5,8-9,13,16-18,20-21H,6-7,10-12,14H2,(H2,27,34)(H,29,35)/t16-,17+,18?,20+,21+/m1/s1.

What are the key properties of 1-[2-oxo-2-[(1S,3S,5S)-3-[[(3R)-3-phenylcyclopentyl]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-[[(3R)-3-phenylcyclopentyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 1.97, 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-[[(3R)-3-phenylcyclopentyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]pyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 72943834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).