N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C26H23N5O4 — CID 55545738

About N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55545738) has the molecular formula C26H23N5O4 and a molecular weight of 469.50 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55545738
• Molecular Formula: C26H23N5O4
• Molecular Weight: 469.50 g/mol
• Exact Mass: 469.18
• IUPAC Name: N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: COc1ccc(OC)c(CNC(=O)c2cc(-c3cccnc3)nc3c2cnn3Cc2ccco2)c1
• InChI: InChI=1S/C26H23N5O4/c1-33-19-7-8-24(34-2)18(11-19)14-28-26(32)21-12-23(17-5-3-9-27-13-17)30-25-22(21)15-29-31(25)16-20-6-4-10-35-20/h3-13,15H,14,16H2,1-2H3,(H,28,32)
• InChIKey: REOQNFJAERGPGW-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 104.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.50
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55545738) is N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(OC)c(CNC(=O)c2cc(-c3cccnc3)nc3c2cnn3Cc2ccco2)c1.

What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is REOQNFJAERGPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O4/c1-33-19-7-8-24(34-2)18(11-19)14-28-26(32)21-12-23(17-5-3-9-27-13-17)30-25-22(21)15-29-31(25)16-20-6-4-10-35-20/h3-13,15H,14,16H2,1-2H3,(H,28,32).

What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 469.50 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55545738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).