N-[5-[5-[(2S)-3,3-difluoro-2-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(1H-imidazol-5-ylmethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide

C25H23F2N7O4 — CID 171796813

About N-[5-[5-[(2S)-3,3-difluoro-2-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(1H-imidazol-5-ylmethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[5-[(2S)-3,3-difluoro-2-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(1H-imidazol-5-ylmethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 171796813) has the molecular formula C25H23F2N7O4 and a molecular weight of 523.50 g/mol. Its IUPAC name is N-[5-[5-[(2S)-3,3-difluoro-2-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(1H-imidazol-5-ylmethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[5-[(2S)-3,3-difluoro-2-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(1H-imidazol-5-ylmethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 171796813
• Molecular Formula: C25H23F2N7O4
• Molecular Weight: 523.50 g/mol
• Exact Mass: 523.18
• IUPAC Name: N-[5-[5-[(2S)-3,3-difluoro-2-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(1H-imidazol-5-ylmethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1ccc(-c2noc(C[C@H](O)C(F)F)n2)cc1NC(=O)c1cnc2cc(COCc3cnc[nH]3)ccn12
• InChI: InChI=1S/C25H23F2N7O4/c1-14-2-3-16(24-32-22(38-33-24)8-20(35)23(26)27)7-18(14)31-25(36)19-10-29-21-6-15(4-5-34(19)21)11-37-12-17-9-28-13-30-17/h2-7,9-10,13,20,23,35H,8,11-12H2,1H3,(H,28,30)(H,31,36)/t20-/m0/s1
• InChIKey: VFGBMTHCIUMIIJ-FQEVSTJZSA-N
• XLogP: 3.55
• TPSA: 143.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.50
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(2S)-3,3-difluoro-2-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(1H-imidazol-5-ylmethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[5-[5-[(2S)-3,3-difluoro-2-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(1H-imidazol-5-ylmethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 171796813) is N-[5-[5-[(2S)-3,3-difluoro-2-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(1H-imidazol-5-ylmethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[5-[5-[(2S)-3,3-difluoro-2-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(1H-imidazol-5-ylmethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[5-[5-[(2S)-3,3-difluoro-2-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(1H-imidazol-5-ylmethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2noc(C[C@H](O)C(F)F)n2)cc1NC(=O)c1cnc2cc(COCc3cnc[nH]3)ccn12.

What is the InChIKey of N-[5-[5-[(2S)-3,3-difluoro-2-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(1H-imidazol-5-ylmethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is VFGBMTHCIUMIIJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H23F2N7O4/c1-14-2-3-16(24-32-22(38-33-24)8-20(35)23(26)27)7-18(14)31-25(36)19-10-29-21-6-15(4-5-34(19)21)11-37-12-17-9-28-13-30-17/h2-7,9-10,13,20,23,35H,8,11-12H2,1H3,(H,28,30)(H,31,36)/t20-/m0/s1.

What are the key properties of N-[5-[5-[(2S)-3,3-difluoro-2-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(1H-imidazol-5-ylmethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide?

N-[5-[5-[(2S)-3,3-difluoro-2-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(1H-imidazol-5-ylmethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 523.50 g/mol, XLogP of 3.55, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-[(2S)-3,3-difluoro-2-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(1H-imidazol-5-ylmethoxymethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 171796813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).