N-[2-(3-amino-3-oxopropyl)-7-(4,4-difluoropiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

C25H25F2N7O3 — CID 167066125

About N-[2-(3-amino-3-oxopropyl)-7-(4,4-difluoropiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

N-[2-(3-amino-3-oxopropyl)-7-(4,4-difluoropiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (PubChem CID 167066125) has the molecular formula C25H25F2N7O3 and a molecular weight of 509.52 g/mol. Its IUPAC name is N-[2-(3-amino-3-oxopropyl)-7-(4,4-difluoropiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3-amino-3-oxopropyl)-7-(4,4-difluoropiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
• PubChem CID: 167066125
• Molecular Formula: C25H25F2N7O3
• Molecular Weight: 509.52 g/mol
• Exact Mass: 509.20
• IUPAC Name: N-[2-(3-amino-3-oxopropyl)-7-(4,4-difluoropiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
• SMILES: Cc1cc(-c2nc(C(=O)Nc3cn4cc(CCC(N)=O)nc4cc3N3CCC(F)(F)CC3)co2)ccn1
• InChI: InChI=1S/C25H25F2N7O3/c1-15-10-16(4-7-29-15)24-32-19(14-37-24)23(36)31-18-13-34-12-17(2-3-21(28)35)30-22(34)11-20(18)33-8-5-25(26,27)6-9-33/h4,7,10-14H,2-3,5-6,8-9H2,1H3,(H2,28,35)(H,31,36)
• InChIKey: CJVXRDHJHAYLKG-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 131.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.52
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[2-(3-amino-3-oxopropyl)-7-(4,4-difluoropiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (CID 167066125) is N-[2-(3-amino-3-oxopropyl)-7-(4,4-difluoropiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.

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

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

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

The InChIKey is CJVXRDHJHAYLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N7O3/c1-15-10-16(4-7-29-15)24-32-19(14-37-24)23(36)31-18-13-34-12-17(2-3-21(28)35)30-22(34)11-20(18)33-8-5-25(26,27)6-9-33/h4,7,10-14H,2-3,5-6,8-9H2,1H3,(H2,28,35)(H,31,36).

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

N-[2-(3-amino-3-oxopropyl)-7-(4,4-difluoropiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide has a molecular weight of 509.52 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-amino-3-oxopropyl)-7-(4,4-difluoropiperidin-1-yl)imidazo[1,2-a]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 167066125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).