N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide

C27H29F3N6O3 — CID 155483880

About N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide

N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide (PubChem CID 155483880) has the molecular formula C27H29F3N6O3 and a molecular weight of 542.56 g/mol. Its IUPAC name is N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide
• PubChem CID: 155483880
• Molecular Formula: C27H29F3N6O3
• Molecular Weight: 542.56 g/mol
• Exact Mass: 542.23
• IUPAC Name: N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide
• SMILES: CC(C)(O)CCc1cn2cc(NC(=O)c3coc(-c4ccnc(C(F)(F)F)c4)n3)c(N3CCCCC3)cc2n1
• InChI: InChI=1S/C27H29F3N6O3/c1-26(2,38)8-6-18-14-36-15-19(21(13-23(36)32-18)35-10-4-3-5-11-35)33-24(37)20-16-39-25(34-20)17-7-9-31-22(12-17)27(28,29)30/h7,9,12-16,38H,3-6,8,10-11H2,1-2H3,(H,33,37)
• InChIKey: CKCXRABCNGYLBW-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 108.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.56
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide (CID 155483880) is N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide.

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

The canonical SMILES for N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide is CC(C)(O)CCc1cn2cc(NC(=O)c3coc(-c4ccnc(C(F)(F)F)c4)n3)c(N3CCCCC3)cc2n1.

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

The InChIKey is CKCXRABCNGYLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N6O3/c1-26(2,38)8-6-18-14-36-15-19(21(13-23(36)32-18)35-10-4-3-5-11-35)33-24(37)20-16-39-25(34-20)17-7-9-31-22(12-17)27(28,29)30/h7,9,12-16,38H,3-6,8,10-11H2,1-2H3,(H,33,37).

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

N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide has a molecular weight of 542.56 g/mol, XLogP of 5.35, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-hydroxy-3-methylbutyl)-7-piperidin-1-ylimidazo[1,2-a]pyridin-6-yl]-2-[2-(trifluoromethyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 155483880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).