N-[3-[[[(1R,7S)-bicyclo[5.1.0]octane-8-carbonyl]amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide

C24H32N4O2 — CID 166381699

About N-[3-[[[(1R,7S)-bicyclo[5.1.0]octane-8-carbonyl]amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide

N-[3-[[[(1R,7S)-bicyclo[5.1.0]octane-8-carbonyl]amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide (PubChem CID 166381699) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[3-[[[(1R,7S)-bicyclo[5.1.0]octane-8-carbonyl]amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-[[[(1R,7S)-bicyclo[5.1.0]octane-8-carbonyl]amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
• PubChem CID: 166381699
• Molecular Formula: C24H32N4O2
• Molecular Weight: 408.55 g/mol
• Exact Mass: 408.25
• IUPAC Name: N-[3-[[[(1R,7S)-bicyclo[5.1.0]octane-8-carbonyl]amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide
• SMILES: CC1(C)C(CNC(=O)C2[C@H]3CCCCC[C@@H]23)CC1NC(=O)c1cccn2nccc12
• InChI: InChI=1S/C24H32N4O2/c1-24(2)15(14-25-23(30)21-16-7-4-3-5-8-17(16)21)13-20(24)27-22(29)18-9-6-12-28-19(18)10-11-26-28/h6,9-12,15-17,20-21H,3-5,7-8,13-14H2,1-2H3,(H,25,30)(H,27,29)/t15?,16-,17+,20?,21?
• InChIKey: LHOZJNFVWNJDCJ-ACUSGIGJSA-N
• XLogP: 3.42
• TPSA: 75.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.55
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[(1R,7S)-bicyclo[5.1.0]octane-8-carbonyl]amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide?

The IUPAC name of N-[3-[[[(1R,7S)-bicyclo[5.1.0]octane-8-carbonyl]amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide (CID 166381699) is N-[3-[[[(1R,7S)-bicyclo[5.1.0]octane-8-carbonyl]amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide.

What is the SMILES notation for N-[3-[[[(1R,7S)-bicyclo[5.1.0]octane-8-carbonyl]amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide?

The canonical SMILES for N-[3-[[[(1R,7S)-bicyclo[5.1.0]octane-8-carbonyl]amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide is CC1(C)C(CNC(=O)C2[C@H]3CCCCC[C@@H]23)CC1NC(=O)c1cccn2nccc12.

What is the InChIKey of N-[3-[[[(1R,7S)-bicyclo[5.1.0]octane-8-carbonyl]amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide?

The InChIKey is LHOZJNFVWNJDCJ-ACUSGIGJSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-24(2)15(14-25-23(30)21-16-7-4-3-5-8-17(16)21)13-20(24)27-22(29)18-9-6-12-28-19(18)10-11-26-28/h6,9-12,15-17,20-21H,3-5,7-8,13-14H2,1-2H3,(H,25,30)(H,27,29)/t15?,16-,17+,20?,21?.

What are the key properties of N-[3-[[[(1R,7S)-bicyclo[5.1.0]octane-8-carbonyl]amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide?

N-[3-[[[(1R,7S)-bicyclo[5.1.0]octane-8-carbonyl]amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[[(1R,7S)-bicyclo[5.1.0]octane-8-carbonyl]amino]methyl]-2,2-dimethylcyclobutyl]pyrazolo[1,5-a]pyridine-4-carboxamide is sourced from PubChem (CID 166381699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).