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

C28H24N6O2 — CID 55783589

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

1,3-dimethyl-6-phenyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55783589) has the molecular formula C28H24N6O2 and a molecular weight of 476.54 g/mol. Its IUPAC name is 1,3-dimethyl-6-phenyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1,3-dimethyl-6-phenyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55783589
• Molecular Formula: C28H24N6O2
• Molecular Weight: 476.54 g/mol
• Exact Mass: 476.20
• IUPAC Name: 1,3-dimethyl-6-phenyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3cccc(C(=O)NCc4ccccn4)c3)c12
• InChI: InChI=1S/C28H24N6O2/c1-18-25-23(16-24(19-9-4-3-5-10-19)32-26(25)34(2)33-18)28(36)31-21-13-8-11-20(15-21)27(35)30-17-22-12-6-7-14-29-22/h3-16H,17H2,1-2H3,(H,30,35)(H,31,36)
• InChIKey: DLRGPUULSHWCRF-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 101.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.54
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1,3-dimethyl-6-phenyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 55783589) is 1,3-dimethyl-6-phenyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for 1,3-dimethyl-6-phenyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3cccc(C(=O)NCc4ccccn4)c3)c12.

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

The InChIKey is DLRGPUULSHWCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O2/c1-18-25-23(16-24(19-9-4-3-5-10-19)32-26(25)34(2)33-18)28(36)31-21-13-8-11-20(15-21)27(35)30-17-22-12-6-7-14-29-22/h3-16H,17H2,1-2H3,(H,30,35)(H,31,36).

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

1,3-dimethyl-6-phenyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 476.54 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-6-phenyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55783589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).