N-[3-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-pyrazol-1-ylpropyl]-2-hydroxybenzamide

C33H44N6O3 — CID 135220737

About N-[3-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-pyrazol-1-ylpropyl]-2-hydroxybenzamide

N-[3-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-pyrazol-1-ylpropyl]-2-hydroxybenzamide (PubChem CID 135220737) has the molecular formula C33H44N6O3 and a molecular weight of 572.75 g/mol. Its IUPAC name is N-[3-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-pyrazol-1-ylpropyl]-2-hydroxybenzamide.

Molecular Properties

• Compound Name: N-[3-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-pyrazol-1-ylpropyl]-2-hydroxybenzamide
• PubChem CID: 135220737
• Molecular Formula: C33H44N6O3
• Molecular Weight: 572.75 g/mol
• Exact Mass: 572.35
• IUPAC Name: N-[3-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-pyrazol-1-ylpropyl]-2-hydroxybenzamide
• SMILES: Cn1c(=O)n(CC(C)(C)C)c2ccc(C3CCC(C)(C)C(CC(CNC(=O)c4ccccc4O)n4cccn4)C3)nc21
• InChI: InChI=1S/C33H44N6O3/c1-32(2,3)21-38-27-13-12-26(36-29(27)37(6)31(38)42)22-14-15-33(4,5)23(18-22)19-24(39-17-9-16-35-39)20-34-30(41)25-10-7-8-11-28(25)40/h7-13,16-17,22-24,40H,14-15,18-21H2,1-6H3,(H,34,41)
• InChIKey: VJPINPRVWPPMJR-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 106.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.75
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-pyrazol-1-ylpropyl]-2-hydroxybenzamide?

The IUPAC name of N-[3-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-pyrazol-1-ylpropyl]-2-hydroxybenzamide (CID 135220737) is N-[3-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-pyrazol-1-ylpropyl]-2-hydroxybenzamide.

What is the SMILES notation for N-[3-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-pyrazol-1-ylpropyl]-2-hydroxybenzamide?

The canonical SMILES for N-[3-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-pyrazol-1-ylpropyl]-2-hydroxybenzamide is Cn1c(=O)n(CC(C)(C)C)c2ccc(C3CCC(C)(C)C(CC(CNC(=O)c4ccccc4O)n4cccn4)C3)nc21.

What is the InChIKey of N-[3-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-pyrazol-1-ylpropyl]-2-hydroxybenzamide?

The InChIKey is VJPINPRVWPPMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N6O3/c1-32(2,3)21-38-27-13-12-26(36-29(27)37(6)31(38)42)22-14-15-33(4,5)23(18-22)19-24(39-17-9-16-35-39)20-34-30(41)25-10-7-8-11-28(25)40/h7-13,16-17,22-24,40H,14-15,18-21H2,1-6H3,(H,34,41).

What are the key properties of N-[3-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-pyrazol-1-ylpropyl]-2-hydroxybenzamide?

N-[3-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-pyrazol-1-ylpropyl]-2-hydroxybenzamide has a molecular weight of 572.75 g/mol, XLogP of 5.65, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-pyrazol-1-ylpropyl]-2-hydroxybenzamide is sourced from PubChem (CID 135220737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).