1-tert-butyl-N-(5-chloro-2-methylphenyl)-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H25ClN4O — CID 55756167

About 1-tert-butyl-N-(5-chloro-2-methylphenyl)-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide

1-tert-butyl-N-(5-chloro-2-methylphenyl)-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55756167) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is 1-tert-butyl-N-(5-chloro-2-methylphenyl)-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-tert-butyl-N-(5-chloro-2-methylphenyl)-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55756167
• Molecular Formula: C22H25ClN4O
• Molecular Weight: 396.92 g/mol
• Exact Mass: 396.17
• IUPAC Name: 1-tert-butyl-N-(5-chloro-2-methylphenyl)-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1ccc(Cl)cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C
• InChI: InChI=1S/C22H25ClN4O/c1-12-6-9-15(23)10-17(12)25-21(28)16-11-18(14-7-8-14)24-20-19(16)13(2)26-27(20)22(3,4)5/h6,9-11,14H,7-8H2,1-5H3,(H,25,28)
• InChIKey: GVZUYFMSGRYENP-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	396.92
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(5-chloro-2-methylphenyl)-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 1-tert-butyl-N-(5-chloro-2-methylphenyl)-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55756167) is 1-tert-butyl-N-(5-chloro-2-methylphenyl)-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 1-tert-butyl-N-(5-chloro-2-methylphenyl)-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 1-tert-butyl-N-(5-chloro-2-methylphenyl)-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C(C)(C)C.

What is the InChIKey of 1-tert-butyl-N-(5-chloro-2-methylphenyl)-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is GVZUYFMSGRYENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O/c1-12-6-9-15(23)10-17(12)25-21(28)16-11-18(14-7-8-14)24-20-19(16)13(2)26-27(20)22(3,4)5/h6,9-11,14H,7-8H2,1-5H3,(H,25,28).

What are the key properties of 1-tert-butyl-N-(5-chloro-2-methylphenyl)-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide?

1-tert-butyl-N-(5-chloro-2-methylphenyl)-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 396.92 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-N-(5-chloro-2-methylphenyl)-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55756167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).