N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2H-triazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide

C23H18F2N8O2 — CID 71280399

About N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2H-triazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2H-triazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71280399) has the molecular formula C23H18F2N8O2 and a molecular weight of 476.45 g/mol. Its IUPAC name is N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2H-triazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2H-triazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 71280399
• Molecular Formula: C23H18F2N8O2
• Molecular Weight: 476.45 g/mol
• Exact Mass: 476.15
• IUPAC Name: N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2H-triazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2cc(-c3cn[nH]n3)ccn12
• InChI: InChI=1S/C23H18F2N8O2/c1-12-2-3-14(20-29-22(35-31-20)15-8-23(24,25)9-15)6-16(12)28-21(34)18-11-26-19-7-13(4-5-33(18)19)17-10-27-32-30-17/h2-7,10-11,15H,8-9H2,1H3,(H,28,34)(H,27,30,32)
• InChIKey: IZCWSKVYLGKJTN-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 126.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.45
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2H-triazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 71280399) is N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2H-triazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide.

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

The canonical SMILES for N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2H-triazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2cc(-c3cn[nH]n3)ccn12.

What is the InChIKey of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2H-triazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is IZCWSKVYLGKJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N8O2/c1-12-2-3-14(20-29-22(35-31-20)15-8-23(24,25)9-15)6-16(12)28-21(34)18-11-26-19-7-13(4-5-33(18)19)17-10-27-32-30-17/h2-7,10-11,15H,8-9H2,1H3,(H,28,34)(H,27,30,32).

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

N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2H-triazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 476.45 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-(2H-triazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71280399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).