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

C35H52N6O3 — CID 135220775

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

N-[3-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3-(4-methylpiperazin-1-yl)propyl]-2-hydroxybenzamide (PubChem CID 135220775) has the molecular formula C35H52N6O3 and a molecular weight of 604.84 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]-3-(4-methylpiperazin-1-yl)propyl]-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]-3-(4-methylpiperazin-1-yl)propyl]-2-hydroxybenzamide
• PubChem CID: 135220775
• Molecular Formula: C35H52N6O3
• Molecular Weight: 604.84 g/mol
• Exact Mass: 604.41
• IUPAC Name: N-[3-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3-(4-methylpiperazin-1-yl)propyl]-2-hydroxybenzamide
• SMILES: CN1CCN(C(CCNC(=O)c2ccccc2O)C2CC(c3ccc4c(n3)n(C)c(=O)n4CC(C)(C)C)CCC2(C)C)CC1
• InChI: InChI=1S/C35H52N6O3/c1-34(2,3)23-41-29-13-12-27(37-31(29)39(7)33(41)44)24-14-16-35(4,5)26(22-24)28(40-20-18-38(6)19-21-40)15-17-36-32(43)25-10-8-9-11-30(25)42/h8-13,24,26,28,42H,14-23H2,1-7H3,(H,36,43)
• InChIKey: TVYCQZPVWUJZPJ-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 95.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	604.84
LogP ≤ 5	4.83
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]-3-(4-methylpiperazin-1-yl)propyl]-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]-3-(4-methylpiperazin-1-yl)propyl]-2-hydroxybenzamide (CID 135220775) is N-[3-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3-(4-methylpiperazin-1-yl)propyl]-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]-3-(4-methylpiperazin-1-yl)propyl]-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]-3-(4-methylpiperazin-1-yl)propyl]-2-hydroxybenzamide is CN1CCN(C(CCNC(=O)c2ccccc2O)C2CC(c3ccc4c(n3)n(C)c(=O)n4CC(C)(C)C)CCC2(C)C)CC1.

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]-3-(4-methylpiperazin-1-yl)propyl]-2-hydroxybenzamide?

The InChIKey is TVYCQZPVWUJZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H52N6O3/c1-34(2,3)23-41-29-13-12-27(37-31(29)39(7)33(41)44)24-14-16-35(4,5)26(22-24)28(40-20-18-38(6)19-21-40)15-17-36-32(43)25-10-8-9-11-30(25)42/h8-13,24,26,28,42H,14-23H2,1-7H3,(H,36,43).

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]-3-(4-methylpiperazin-1-yl)propyl]-2-hydroxybenzamide?

N-[3-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3-(4-methylpiperazin-1-yl)propyl]-2-hydroxybenzamide has a molecular weight of 604.84 g/mol, XLogP of 4.83, 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]-3-(4-methylpiperazin-1-yl)propyl]-2-hydroxybenzamide is sourced from PubChem (CID 135220775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).