N-[2-(cyclohexanecarbonylamino)ethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C24H31N5O2S — CID 55805963

About N-[2-(cyclohexanecarbonylamino)ethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[2-(cyclohexanecarbonylamino)ethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55805963) has the molecular formula C24H31N5O2S and a molecular weight of 453.61 g/mol. Its IUPAC name is N-[2-(cyclohexanecarbonylamino)ethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(cyclohexanecarbonylamino)ethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55805963
• Molecular Formula: C24H31N5O2S
• Molecular Weight: 453.61 g/mol
• Exact Mass: 453.22
• IUPAC Name: N-[2-(cyclohexanecarbonylamino)ethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1ccc(-c2cc(C(=O)NCCNC(=O)C3CCCCC3)c3cnn(C(C)C)c3n2)s1
• InChI: InChI=1S/C24H31N5O2S/c1-15(2)29-22-19(14-27-29)18(13-20(28-22)21-10-9-16(3)32-21)24(31)26-12-11-25-23(30)17-7-5-4-6-8-17/h9-10,13-15,17H,4-8,11-12H2,1-3H3,(H,25,30)(H,26,31)
• InChIKey: XMCVMEBPNYKDGI-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 88.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.61
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[2-(cyclohexanecarbonylamino)ethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55805963) is N-[2-(cyclohexanecarbonylamino)ethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for N-[2-(cyclohexanecarbonylamino)ethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCCNC(=O)C3CCCCC3)c3cnn(C(C)C)c3n2)s1.

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

The InChIKey is XMCVMEBPNYKDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2S/c1-15(2)29-22-19(14-27-29)18(13-20(28-22)21-10-9-16(3)32-21)24(31)26-12-11-25-23(30)17-7-5-4-6-8-17/h9-10,13-15,17H,4-8,11-12H2,1-3H3,(H,25,30)(H,26,31).

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

N-[2-(cyclohexanecarbonylamino)ethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 453.61 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclohexanecarbonylamino)ethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55805963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).