N-(2,4-difluorophenyl)-1,3-dimethyl-6-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C27H21F2N5O — CID 55889629

About N-(2,4-difluorophenyl)-1,3-dimethyl-6-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-(2,4-difluorophenyl)-1,3-dimethyl-6-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55889629) has the molecular formula C27H21F2N5O and a molecular weight of 469.50 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1,3-dimethyl-6-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-(2,4-difluorophenyl)-1,3-dimethyl-6-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55889629
• Molecular Formula: C27H21F2N5O
• Molecular Weight: 469.50 g/mol
• Exact Mass: 469.17
• IUPAC Name: N-(2,4-difluorophenyl)-1,3-dimethyl-6-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(Cc3ccccn3)c3ccc(F)cc3F)c12
• InChI: InChI=1S/C27H21F2N5O/c1-17-25-21(15-23(18-8-4-3-5-9-18)31-26(25)33(2)32-17)27(35)34(16-20-10-6-7-13-30-20)24-12-11-19(28)14-22(24)29/h3-15H,16H2,1-2H3
• InChIKey: GVZKUDQFIIVKPP-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 63.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.50
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1,3-dimethyl-6-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-(2,4-difluorophenyl)-1,3-dimethyl-6-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 55889629) is N-(2,4-difluorophenyl)-1,3-dimethyl-6-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-(2,4-difluorophenyl)-1,3-dimethyl-6-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-(2,4-difluorophenyl)-1,3-dimethyl-6-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N(Cc3ccccn3)c3ccc(F)cc3F)c12.

What is the InChIKey of N-(2,4-difluorophenyl)-1,3-dimethyl-6-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is GVZKUDQFIIVKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2N5O/c1-17-25-21(15-23(18-8-4-3-5-9-18)31-26(25)33(2)32-17)27(35)34(16-20-10-6-7-13-30-20)24-12-11-19(28)14-22(24)29/h3-15H,16H2,1-2H3.

What are the key properties of N-(2,4-difluorophenyl)-1,3-dimethyl-6-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide?

N-(2,4-difluorophenyl)-1,3-dimethyl-6-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 469.50 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-difluorophenyl)-1,3-dimethyl-6-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55889629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).