1-[2-[(1R,3S,5R)-3-[cyclopropyl(phenyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide

C24H24N6O3 — CID 118073472

About 1-[2-[(1R,3S,5R)-3-[cyclopropyl(phenyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide

1-[2-[(1R,3S,5R)-3-[cyclopropyl(phenyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide (PubChem CID 118073472) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is 1-[2-[(1R,3S,5R)-3-[cyclopropyl(phenyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[(1R,3S,5R)-3-[cyclopropyl(phenyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide
• PubChem CID: 118073472
• Molecular Formula: C24H24N6O3
• Molecular Weight: 444.50 g/mol
• Exact Mass: 444.19
• IUPAC Name: 1-[2-[(1R,3S,5R)-3-[cyclopropyl(phenyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide
• SMILES: NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)N(c2ccccc2)C2CC2)c2ncccc12
• InChI: InChI=1S/C24H24N6O3/c25-22(32)21-17-7-4-10-26-23(17)28(27-21)13-20(31)30-18-11-14(18)12-19(30)24(33)29(16-8-9-16)15-5-2-1-3-6-15/h1-7,10,14,16,18-19H,8-9,11-13H2,(H2,25,32)/t14-,18-,19+/m1/s1
• InChIKey: KLMSUFHHQWJHFL-ZMYBRWDISA-N
• XLogP: 1.72
• TPSA: 114.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.50
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R,3S,5R)-3-[cyclopropyl(phenyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide?

The IUPAC name of 1-[2-[(1R,3S,5R)-3-[cyclopropyl(phenyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide (CID 118073472) is 1-[2-[(1R,3S,5R)-3-[cyclopropyl(phenyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide.

What is the SMILES notation for 1-[2-[(1R,3S,5R)-3-[cyclopropyl(phenyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide?

The canonical SMILES for 1-[2-[(1R,3S,5R)-3-[cyclopropyl(phenyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide is NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)N(c2ccccc2)C2CC2)c2ncccc12.

What is the InChIKey of 1-[2-[(1R,3S,5R)-3-[cyclopropyl(phenyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide?

The InChIKey is KLMSUFHHQWJHFL-ZMYBRWDISA-N. The full InChI is InChI=1S/C24H24N6O3/c25-22(32)21-17-7-4-10-26-23(17)28(27-21)13-20(31)30-18-11-14(18)12-19(30)24(33)29(16-8-9-16)15-5-2-1-3-6-15/h1-7,10,14,16,18-19H,8-9,11-13H2,(H2,25,32)/t14-,18-,19+/m1/s1.

What are the key properties of 1-[2-[(1R,3S,5R)-3-[cyclopropyl(phenyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide?

1-[2-[(1R,3S,5R)-3-[cyclopropyl(phenyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(1R,3S,5R)-3-[cyclopropyl(phenyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 118073472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).