N-[7-(4,4-dimethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

C29H36N6O3 — CID 155483924

About N-[7-(4,4-dimethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

N-[7-(4,4-dimethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (PubChem CID 155483924) has the molecular formula C29H36N6O3 and a molecular weight of 516.65 g/mol. Its IUPAC name is N-[7-(4,4-dimethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[7-(4,4-dimethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
• PubChem CID: 155483924
• Molecular Formula: C29H36N6O3
• Molecular Weight: 516.65 g/mol
• Exact Mass: 516.28
• IUPAC Name: N-[7-(4,4-dimethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
• SMILES: Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCC(C)(C)O)nc4cc3N3CCC(C)(C)CC3)co2)ccn1
• InChI: InChI=1S/C29H36N6O3/c1-19-14-20(7-11-30-19)27-33-23(18-38-27)26(36)32-22-17-35-16-21(6-8-29(4,5)37)31-25(35)15-24(22)34-12-9-28(2,3)10-13-34/h7,11,14-18,37H,6,8-10,12-13H2,1-5H3,(H,32,36)
• InChIKey: PMLZVJLQMCJGPS-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 108.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.65
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[7-(4,4-dimethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[7-(4,4-dimethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (CID 155483924) is N-[7-(4,4-dimethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[7-(4,4-dimethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[7-(4,4-dimethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCC(C)(C)O)nc4cc3N3CCC(C)(C)CC3)co2)ccn1.

What is the InChIKey of N-[7-(4,4-dimethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?

The InChIKey is PMLZVJLQMCJGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N6O3/c1-19-14-20(7-11-30-19)27-33-23(18-38-27)26(36)32-22-17-35-16-21(6-8-29(4,5)37)31-25(35)15-24(22)34-12-9-28(2,3)10-13-34/h7,11,14-18,37H,6,8-10,12-13H2,1-5H3,(H,32,36).

What are the key properties of N-[7-(4,4-dimethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?

N-[7-(4,4-dimethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide has a molecular weight of 516.65 g/mol, XLogP of 5.27, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-(4,4-dimethylpiperidin-1-yl)-2-(3-hydroxy-3-methylbutyl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 155483924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).