1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide

C26H33N5O — CID 55762394

About 1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide

1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55762394) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is 1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55762394
• Molecular Formula: C26H33N5O
• Molecular Weight: 431.58 g/mol
• Exact Mass: 431.27
• IUPAC Name: 1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccccc3CN3CCCC3)c12
• InChI: InChI=1S/C26H33N5O/c1-17-23-20(15-22(18-11-12-18)27-24(23)31(29-17)26(2,3)4)25(32)28-21-10-6-5-9-19(21)16-30-13-7-8-14-30/h5-6,9-10,15,18H,7-8,11-14,16H2,1-4H3,(H,28,32)
• InChIKey: OJDZJDDBCUBEPE-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.58
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 55762394) is 1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccccc3CN3CCCC3)c12.

What is the InChIKey of 1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is OJDZJDDBCUBEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O/c1-17-23-20(15-22(18-11-12-18)27-24(23)31(29-17)26(2,3)4)25(32)28-21-10-6-5-9-19(21)16-30-13-7-8-14-30/h5-6,9-10,15,18H,7-8,11-14,16H2,1-4H3,(H,28,32).

What are the key properties of 1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide?

1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 431.58 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-6-cyclopropyl-3-methyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55762394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).