N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-[1-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide

C32H28F2N8O3 — CID 151078240

About N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-[1-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-[1-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 151078240) has the molecular formula C32H28F2N8O3 and a molecular weight of 610.63 g/mol. Its IUPAC name is N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-[1-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-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]-6-[1-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 151078240
• Molecular Formula: C32H28F2N8O3
• Molecular Weight: 610.63 g/mol
• Exact Mass: 610.23
• IUPAC Name: N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-[1-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: COc1ccccc1Cn1nc(-c2ccc3ncc(C(=O)Nc4cc(-c5noc(C6CC(F)(F)C6)n5)ccc4C)n3c2)nc1C
• InChI: InChI=1S/C32H28F2N8O3/c1-18-8-9-20(29-38-31(45-40-29)23-13-32(33,34)14-23)12-24(18)37-30(43)25-15-35-27-11-10-22(16-41(25)27)28-36-19(2)42(39-28)17-21-6-4-5-7-26(21)44-3/h4-12,15-16,23H,13-14,17H2,1-3H3,(H,37,43)
• InChIKey: MJOLZUSDJFJUFU-UHFFFAOYSA-N
• XLogP: 6.08
• TPSA: 125.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.63
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-[1-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-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]-6-[1-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 151078240) is N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-[1-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-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]-6-[1-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-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]-6-[1-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide is COc1ccccc1Cn1nc(-c2ccc3ncc(C(=O)Nc4cc(-c5noc(C6CC(F)(F)C6)n5)ccc4C)n3c2)nc1C.

What is the InChIKey of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-[1-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is MJOLZUSDJFJUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F2N8O3/c1-18-8-9-20(29-38-31(45-40-29)23-13-32(33,34)14-23)12-24(18)37-30(43)25-15-35-27-11-10-22(16-41(25)27)28-36-19(2)42(39-28)17-21-6-4-5-7-26(21)44-3/h4-12,15-16,23H,13-14,17H2,1-3H3,(H,37,43).

What are the key properties of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-[1-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?

N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-[1-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 610.63 g/mol, XLogP of 6.08, 8 rotatable bonds, 1 hydrogen bond donors, and 10 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]-6-[1-[(2-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 151078240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).