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

C25H21F2N7O2 — CID 71280558

IUPACN-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccc(-c3ccn(C)n3)cn12
InChIInChI=1S/C25H21F2N7O2/c1-14-3-4-15(22-30-24(36-32-22)17-10-25(26,27)11-17)9-19(14)29-23(35)20-12-28-21-6-5-16(13-34(20)21)18-7-8-33(2)31-18/h3-9,12-13,17H,10-11H2,1-2H3,(H,29,35)
InChIKeyCAMGFDRRBKFXEX-UHFFFAOYSA-N
MW489.49 g/mol
LogP4.86
Rot. Bonds5

About N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(1-methylpyrazol-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-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71280558) has the molecular formula C25H21F2N7O2 and a molecular weight of 489.49 g/mol. Its IUPAC name is N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71280558
Molecular FormulaC25H21F2N7O2
Molecular Weight489.49 g/mol
Exact Mass489.17
IUPAC NameN-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccc(-c3ccn(C)n3)cn12
InChIInChI=1S/C25H21F2N7O2/c1-14-3-4-15(22-30-24(36-32-22)17-10-25(26,27)11-17)9-19(14)29-23(35)20-12-28-21-6-5-16(13-34(20)21)18-7-8-33(2)31-18/h3-9,12-13,17H,10-11H2,1-2H3,(H,29,35)
InChIKeyCAMGFDRRBKFXEX-UHFFFAOYSA-N
XLogP4.86
TPSA103.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.49
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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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-methylpyrazol-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-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 71280558) is N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(1-methylpyrazol-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-methylpyrazol-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-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccc(-c3ccn(C)n3)cn12.
What is the InChIKey of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is CAMGFDRRBKFXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N7O2/c1-14-3-4-15(22-30-24(36-32-22)17-10-25(26,27)11-17)9-19(14)29-23(35)20-12-28-21-6-5-16(13-34(20)21)18-7-8-33(2)31-18/h3-9,12-13,17H,10-11H2,1-2H3,(H,29,35).
What are the key properties of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(1-methylpyrazol-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-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 489.49 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 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]-6-(1-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71280558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).