N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3-(2-oxopyrrolidin-1-yl)propanamide

C27H43N5O3 — CID 71128774

About N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3-(2-oxopyrrolidin-1-yl)propanamide

N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3-(2-oxopyrrolidin-1-yl)propanamide (PubChem CID 71128774) has the molecular formula C27H43N5O3 and a molecular weight of 485.67 g/mol. Its IUPAC name is N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3-(2-oxopyrrolidin-1-yl)propanamide.

Molecular Properties

• Compound Name: N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3-(2-oxopyrrolidin-1-yl)propanamide
• PubChem CID: 71128774
• Molecular Formula: C27H43N5O3
• Molecular Weight: 485.67 g/mol
• Exact Mass: 485.34
• IUPAC Name: N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3-(2-oxopyrrolidin-1-yl)propanamide
• SMILES: Cn1c2c(n(CC(C)(C)C)c1=O)=CCC(C1CCC(C)(C)C(NC(=O)CCN3CCCC3=O)C1)N=2
• InChI: InChI=1S/C27H43N5O3/c1-26(2,3)17-32-20-10-9-19(28-24(20)30(6)25(32)35)18-11-13-27(4,5)21(16-18)29-22(33)12-15-31-14-7-8-23(31)34/h10,18-19,21H,7-9,11-17H2,1-6H3,(H,29,33)
• InChIKey: KITTUPAARDGJPU-UHFFFAOYSA-N
• XLogP: 1.73
• TPSA: 88.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.67
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3-(2-oxopyrrolidin-1-yl)propanamide?

The IUPAC name of N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3-(2-oxopyrrolidin-1-yl)propanamide (CID 71128774) is N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3-(2-oxopyrrolidin-1-yl)propanamide.

What is the SMILES notation for N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3-(2-oxopyrrolidin-1-yl)propanamide?

The canonical SMILES for N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3-(2-oxopyrrolidin-1-yl)propanamide is Cn1c2c(n(CC(C)(C)C)c1=O)=CCC(C1CCC(C)(C)C(NC(=O)CCN3CCCC3=O)C1)N=2.

What is the InChIKey of N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3-(2-oxopyrrolidin-1-yl)propanamide?

The InChIKey is KITTUPAARDGJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43N5O3/c1-26(2,3)17-32-20-10-9-19(28-24(20)30(6)25(32)35)18-11-13-27(4,5)21(16-18)29-22(33)12-15-31-14-7-8-23(31)34/h10,18-19,21H,7-9,11-17H2,1-6H3,(H,29,33).

What are the key properties of N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3-(2-oxopyrrolidin-1-yl)propanamide?

N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3-(2-oxopyrrolidin-1-yl)propanamide has a molecular weight of 485.67 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxo-5,6-dihydroimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3-(2-oxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 71128774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).