6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C21H24N6OS — CID 37392918

About 6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[5,4-b]pyridine-4-carboxamide

6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 37392918) has the molecular formula C21H24N6OS and a molecular weight of 408.53 g/mol. Its IUPAC name is 6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 37392918
• Molecular Formula: C21H24N6OS
• Molecular Weight: 408.53 g/mol
• Exact Mass: 408.17
• IUPAC Name: 6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1ccc(-c2cc(C(=O)NCCCn3cccn3)c3cnn(C(C)C)c3n2)s1
• InChI: InChI=1S/C21H24N6OS/c1-14(2)27-20-17(13-24-27)16(12-18(25-20)19-7-6-15(3)29-19)21(28)22-8-4-10-26-11-5-9-23-26/h5-7,9,11-14H,4,8,10H2,1-3H3,(H,22,28)
• InChIKey: XNTCMUBAAYSQIY-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 77.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.53
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 37392918) is 6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(-c2cc(C(=O)NCCCn3cccn3)c3cnn(C(C)C)c3n2)s1.

What is the InChIKey of 6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is XNTCMUBAAYSQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6OS/c1-14(2)27-20-17(13-24-27)16(12-18(25-20)19-7-6-15(3)29-19)21(28)22-8-4-10-26-11-5-9-23-26/h5-7,9,11-14H,4,8,10H2,1-3H3,(H,22,28).

What are the key properties of 6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[5,4-b]pyridine-4-carboxamide?

6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-methylthiophen-2-yl)-1-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 37392918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).