N-(cyclohexylmethyl)-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H28N4OS — CID 55563926

About N-(cyclohexylmethyl)-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(cyclohexylmethyl)-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55563926) has the molecular formula C22H28N4OS and a molecular weight of 396.56 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-(cyclohexylmethyl)-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55563926
• Molecular Formula: C22H28N4OS
• Molecular Weight: 396.56 g/mol
• Exact Mass: 396.20
• IUPAC Name: N-(cyclohexylmethyl)-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC(C)n1ncc2c(C(=O)N(C)CC3CCCCC3)cc(-c3cccs3)nc21
• InChI: InChI=1S/C22H28N4OS/c1-15(2)26-21-18(13-23-26)17(12-19(24-21)20-10-7-11-28-20)22(27)25(3)14-16-8-5-4-6-9-16/h7,10-13,15-16H,4-6,8-9,14H2,1-3H3
• InChIKey: FXDJDNUCDYOSJS-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 51.02 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	396.56
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-(cyclohexylmethyl)-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55563926) is N-(cyclohexylmethyl)-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-(cyclohexylmethyl)-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-(cyclohexylmethyl)-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)N(C)CC3CCCCC3)cc(-c3cccs3)nc21.

What is the InChIKey of N-(cyclohexylmethyl)-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is FXDJDNUCDYOSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4OS/c1-15(2)26-21-18(13-23-26)17(12-19(24-21)20-10-7-11-28-20)22(27)25(3)14-16-8-5-4-6-9-16/h7,10-13,15-16H,4-6,8-9,14H2,1-3H3.

What are the key properties of N-(cyclohexylmethyl)-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

N-(cyclohexylmethyl)-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 396.56 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclohexylmethyl)-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55563926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).