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

C22H24N6O — CID 41413354

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

6-methyl-1-propan-2-yl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 41413354) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 6-methyl-1-propan-2-yl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 6-methyl-1-propan-2-yl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
• PubChem CID: 41413354
• Molecular Formula: C22H24N6O
• Molecular Weight: 388.48 g/mol
• Exact Mass: 388.20
• IUPAC Name: 6-methyl-1-propan-2-yl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
• SMILES: Cc1nc2c(cnn2C(C)C)cc1C(=O)NCCc1ccc(-n2cccn2)cc1
• InChI: InChI=1S/C22H24N6O/c1-15(2)28-21-18(14-25-28)13-20(16(3)26-21)22(29)23-11-9-17-5-7-19(8-6-17)27-12-4-10-24-27/h4-8,10,12-15H,9,11H2,1-3H3,(H,23,29)
• InChIKey: MUCCXPUTWULDBR-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 77.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.48
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-methyl-1-propan-2-yl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide (CID 41413354) is 6-methyl-1-propan-2-yl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide.

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

The canonical SMILES for 6-methyl-1-propan-2-yl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nc2c(cnn2C(C)C)cc1C(=O)NCCc1ccc(-n2cccn2)cc1.

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

The InChIKey is MUCCXPUTWULDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-15(2)28-21-18(14-25-28)13-20(16(3)26-21)22(29)23-11-9-17-5-7-19(8-6-17)27-12-4-10-24-27/h4-8,10,12-15H,9,11H2,1-3H3,(H,23,29).

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

6-methyl-1-propan-2-yl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-1-propan-2-yl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 41413354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).