N-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C20H26N4O — CID 99732090

About N-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 99732090) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 99732090
• Molecular Formula: C20H26N4O
• Molecular Weight: 338.46 g/mol
• Exact Mass: 338.21
• IUPAC Name: N-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1nn(C)c2nc(C(C)C)cc(C(=O)NC[C@@H]3C[C@@H]4C=C[C@@H]3C4)c12
• InChI: InChI=1S/C20H26N4O/c1-11(2)17-9-16(18-12(3)23-24(4)19(18)22-17)20(25)21-10-15-8-13-5-6-14(15)7-13/h5-6,9,11,13-15H,7-8,10H2,1-4H3,(H,21,25)/t13-,14-,15+/m1/s1
• InChIKey: KDRMSNARASLCLB-KFWWJZLASA-N
• XLogP: 3.34
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.46
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 99732090) is N-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(C(C)C)cc(C(=O)NC[C@@H]3C[C@@H]4C=C[C@@H]3C4)c12.

What is the InChIKey of N-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is KDRMSNARASLCLB-KFWWJZLASA-N. The full InChI is InChI=1S/C20H26N4O/c1-11(2)17-9-16(18-12(3)23-24(4)19(18)22-17)20(25)21-10-15-8-13-5-6-14(15)7-13/h5-6,9,11,13-15H,7-8,10H2,1-4H3,(H,21,25)/t13-,14-,15+/m1/s1.

What are the key properties of N-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

N-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 99732090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).