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

C29H27N5O — CID 55982720

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

1-ethyl-N-[(2-methylphenyl)methyl]-6-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55982720) has the molecular formula C29H27N5O and a molecular weight of 461.57 g/mol. Its IUPAC name is 1-ethyl-N-[(2-methylphenyl)methyl]-6-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-N-[(2-methylphenyl)methyl]-6-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55982720
• Molecular Formula: C29H27N5O
• Molecular Weight: 461.57 g/mol
• Exact Mass: 461.22
• IUPAC Name: 1-ethyl-N-[(2-methylphenyl)methyl]-6-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CCn1ncc2c(C(=O)N(Cc3cccnc3)Cc3ccccc3C)cc(-c3ccccc3)nc21
• InChI: InChI=1S/C29H27N5O/c1-3-34-28-26(18-31-34)25(16-27(32-28)23-12-5-4-6-13-23)29(35)33(19-22-11-9-15-30-17-22)20-24-14-8-7-10-21(24)2/h4-18H,3,19-20H2,1-2H3
• InChIKey: HHALUASJJOAGET-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 63.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.57
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-ethyl-N-[(2-methylphenyl)methyl]-6-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 55982720) is 1-ethyl-N-[(2-methylphenyl)methyl]-6-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for 1-ethyl-N-[(2-methylphenyl)methyl]-6-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is CCn1ncc2c(C(=O)N(Cc3cccnc3)Cc3ccccc3C)cc(-c3ccccc3)nc21.

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

The InChIKey is HHALUASJJOAGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O/c1-3-34-28-26(18-31-34)25(16-27(32-28)23-12-5-4-6-13-23)29(35)33(19-22-11-9-15-30-17-22)20-24-14-8-7-10-21(24)2/h4-18H,3,19-20H2,1-2H3.

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

1-ethyl-N-[(2-methylphenyl)methyl]-6-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 5.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-N-[(2-methylphenyl)methyl]-6-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55982720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).