N-[[4-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(4-formyl-3-hydroxyphenyl)acetamide;ethane;methanamine

C33H35N9O3 — CID 169175493

About N-[[4-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(4-formyl-3-hydroxyphenyl)acetamide;ethane;methanamine

N-[[4-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(4-formyl-3-hydroxyphenyl)acetamide;ethane;methanamine (PubChem CID 169175493) has the molecular formula C33H35N9O3 and a molecular weight of 605.70 g/mol. Its IUPAC name is N-[[4-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(4-formyl-3-hydroxyphenyl)acetamide;ethane;methanamine.

Molecular Properties

• Compound Name: N-[[4-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(4-formyl-3-hydroxyphenyl)acetamide;ethane;methanamine
• PubChem CID: 169175493
• Molecular Formula: C33H35N9O3
• Molecular Weight: 605.70 g/mol
• Exact Mass: 605.29
• IUPAC Name: N-[[4-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(4-formyl-3-hydroxyphenyl)acetamide;ethane;methanamine
• SMILES: CC.CN.Nc1ncccc1-c1nc2ccc(-n3cccn3)nc2n1-c1ccc(CNC(=O)Cc2ccc(C=O)c(O)c2)cc1
• InChI: InChI=1S/C30H24N8O3.C2H6.CH5N/c31-28-23(3-1-12-32-28)29-35-24-10-11-26(37-14-2-13-34-37)36-30(24)38(29)22-8-5-19(6-9-22)17-33-27(41)16-20-4-7-21(18-39)25(40)15-20;2*1-2/h1-15,18,40H,16-17H2,(H2,31,32)(H,33,41);1-2H3;2H2,1H3
• InChIKey: UAZMRPSOCPKMNC-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 179.86 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.70
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

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)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(4-formyl-3-hydroxyphenyl)acetamide;ethane;methanamine?

The IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(4-formyl-3-hydroxyphenyl)acetamide;ethane;methanamine (CID 169175493) is N-[[4-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(4-formyl-3-hydroxyphenyl)acetamide;ethane;methanamine.

What is the SMILES notation for N-[[4-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(4-formyl-3-hydroxyphenyl)acetamide;ethane;methanamine?

The canonical SMILES for N-[[4-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(4-formyl-3-hydroxyphenyl)acetamide;ethane;methanamine is CC.CN.Nc1ncccc1-c1nc2ccc(-n3cccn3)nc2n1-c1ccc(CNC(=O)Cc2ccc(C=O)c(O)c2)cc1.

What is the InChIKey of N-[[4-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(4-formyl-3-hydroxyphenyl)acetamide;ethane;methanamine?

The InChIKey is UAZMRPSOCPKMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N8O3.C2H6.CH5N/c31-28-23(3-1-12-32-28)29-35-24-10-11-26(37-14-2-13-34-37)36-30(24)38(29)22-8-5-19(6-9-22)17-33-27(41)16-20-4-7-21(18-39)25(40)15-20;2*1-2/h1-15,18,40H,16-17H2,(H2,31,32)(H,33,41);1-2H3;2H2,1H3.

What are the key properties of N-[[4-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(4-formyl-3-hydroxyphenyl)acetamide;ethane;methanamine?

N-[[4-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(4-formyl-3-hydroxyphenyl)acetamide;ethane;methanamine has a molecular weight of 605.70 g/mol, XLogP of 4.23, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-(4-formyl-3-hydroxyphenyl)acetamide;ethane;methanamine is sourced from PubChem (CID 169175493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).