1-(2-chlorophenyl)-3,6-dimethyl-N-[(2S)-4-phenylbutan-2-yl]pyrazolo[3,4-b]pyridine-4-carboxamide

C25H25ClN4O — CID 92665267

About 1-(2-chlorophenyl)-3,6-dimethyl-N-[(2S)-4-phenylbutan-2-yl]pyrazolo[3,4-b]pyridine-4-carboxamide

1-(2-chlorophenyl)-3,6-dimethyl-N-[(2S)-4-phenylbutan-2-yl]pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 92665267) has the molecular formula C25H25ClN4O and a molecular weight of 432.96 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3,6-dimethyl-N-[(2S)-4-phenylbutan-2-yl]pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(2-chlorophenyl)-3,6-dimethyl-N-[(2S)-4-phenylbutan-2-yl]pyrazolo[3,4-b]pyridine-4-carboxamide
• PubChem CID: 92665267
• Molecular Formula: C25H25ClN4O
• Molecular Weight: 432.96 g/mol
• Exact Mass: 432.17
• IUPAC Name: 1-(2-chlorophenyl)-3,6-dimethyl-N-[(2S)-4-phenylbutan-2-yl]pyrazolo[3,4-b]pyridine-4-carboxamide
• SMILES: Cc1cc(C(=O)N[C@@H](C)CCc2ccccc2)c2c(C)nn(-c3ccccc3Cl)c2n1
• InChI: InChI=1S/C25H25ClN4O/c1-16(13-14-19-9-5-4-6-10-19)28-25(31)20-15-17(2)27-24-23(20)18(3)29-30(24)22-12-8-7-11-21(22)26/h4-12,15-16H,13-14H2,1-3H3,(H,28,31)/t16-/m0/s1
• InChIKey: ADOIIWZWQPQHMT-INIZCTEOSA-N
• XLogP: 5.44
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.96
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3,6-dimethyl-N-[(2S)-4-phenylbutan-2-yl]pyrazolo[3,4-b]pyridine-4-carboxamide?

The IUPAC name of 1-(2-chlorophenyl)-3,6-dimethyl-N-[(2S)-4-phenylbutan-2-yl]pyrazolo[3,4-b]pyridine-4-carboxamide (CID 92665267) is 1-(2-chlorophenyl)-3,6-dimethyl-N-[(2S)-4-phenylbutan-2-yl]pyrazolo[3,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 1-(2-chlorophenyl)-3,6-dimethyl-N-[(2S)-4-phenylbutan-2-yl]pyrazolo[3,4-b]pyridine-4-carboxamide?

The canonical SMILES for 1-(2-chlorophenyl)-3,6-dimethyl-N-[(2S)-4-phenylbutan-2-yl]pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)N[C@@H](C)CCc2ccccc2)c2c(C)nn(-c3ccccc3Cl)c2n1.

What is the InChIKey of 1-(2-chlorophenyl)-3,6-dimethyl-N-[(2S)-4-phenylbutan-2-yl]pyrazolo[3,4-b]pyridine-4-carboxamide?

The InChIKey is ADOIIWZWQPQHMT-INIZCTEOSA-N. The full InChI is InChI=1S/C25H25ClN4O/c1-16(13-14-19-9-5-4-6-10-19)28-25(31)20-15-17(2)27-24-23(20)18(3)29-30(24)22-12-8-7-11-21(22)26/h4-12,15-16H,13-14H2,1-3H3,(H,28,31)/t16-/m0/s1.

What are the key properties of 1-(2-chlorophenyl)-3,6-dimethyl-N-[(2S)-4-phenylbutan-2-yl]pyrazolo[3,4-b]pyridine-4-carboxamide?

1-(2-chlorophenyl)-3,6-dimethyl-N-[(2S)-4-phenylbutan-2-yl]pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 432.96 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chlorophenyl)-3,6-dimethyl-N-[(2S)-4-phenylbutan-2-yl]pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 92665267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).