N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-formyl-4-hydroxybenzamide

C26H20N6O3 — CID 169175528

About N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-formyl-4-hydroxybenzamide

N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-formyl-4-hydroxybenzamide (PubChem CID 169175528) has the molecular formula C26H20N6O3 and a molecular weight of 464.49 g/mol. Its IUPAC name is N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-formyl-4-hydroxybenzamide.

Molecular Properties

• Compound Name: N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-formyl-4-hydroxybenzamide
• PubChem CID: 169175528
• Molecular Formula: C26H20N6O3
• Molecular Weight: 464.49 g/mol
• Exact Mass: 464.16
• IUPAC Name: N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-formyl-4-hydroxybenzamide
• SMILES: Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CNC(=O)c2ccc(O)c(C=O)c2)cc1
• InChI: InChI=1S/C26H20N6O3/c27-23-20(3-1-11-28-23)24-31-21-4-2-12-29-25(21)32(24)19-8-5-16(6-9-19)14-30-26(35)17-7-10-22(34)18(13-17)15-33/h1-13,15,34H,14H2,(H2,27,28)(H,30,35)
• InChIKey: SZPUTDDTSGKIPE-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 136.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.49
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-formyl-4-hydroxybenzamide?

The IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-formyl-4-hydroxybenzamide (CID 169175528) is N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-formyl-4-hydroxybenzamide.

What is the SMILES notation for N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-formyl-4-hydroxybenzamide?

The canonical SMILES for N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-formyl-4-hydroxybenzamide is Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CNC(=O)c2ccc(O)c(C=O)c2)cc1.

What is the InChIKey of N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-formyl-4-hydroxybenzamide?

The InChIKey is SZPUTDDTSGKIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O3/c27-23-20(3-1-11-28-23)24-31-21-4-2-12-29-25(21)32(24)19-8-5-16(6-9-19)14-30-26(35)17-7-10-22(34)18(13-17)15-33/h1-13,15,34H,14H2,(H2,27,28)(H,30,35).

What are the key properties of N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-formyl-4-hydroxybenzamide?

N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-formyl-4-hydroxybenzamide has a molecular weight of 464.49 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-formyl-4-hydroxybenzamide is sourced from PubChem (CID 169175528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).