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

C25H22F2N8O3 — CID 71280804

IUPACN-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-[1-(2-hydroxyethyl)triazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2cc(-c3cn(CCO)nn3)ccn12
InChIInChI=1S/C25H22F2N8O3/c1-14-2-3-16(22-30-24(38-32-22)17-10-25(26,27)11-17)8-18(14)29-23(37)20-12-28-21-9-15(4-5-35(20)21)19-13-34(6-7-36)33-31-19/h2-5,8-9,12-13,17,36H,6-7,10-11H2,1H3,(H,29,37)
InChIKeyYIDCEVNXBMMFHY-UHFFFAOYSA-N
MW520.50 g/mol
LogP3.71
Rot. Bonds7

About N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-[1-(2-hydroxyethyl)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-[1-(2-hydroxyethyl)triazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71280804) has the molecular formula C25H22F2N8O3 and a molecular weight of 520.50 g/mol. Its IUPAC name is N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-[1-(2-hydroxyethyl)triazol-4-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]-7-[1-(2-hydroxyethyl)triazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71280804
Molecular FormulaC25H22F2N8O3
Molecular Weight520.50 g/mol
Exact Mass520.18
IUPAC NameN-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-[1-(2-hydroxyethyl)triazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2cc(-c3cn(CCO)nn3)ccn12
InChIInChI=1S/C25H22F2N8O3/c1-14-2-3-16(22-30-24(38-32-22)17-10-25(26,27)11-17)8-18(14)29-23(37)20-12-28-21-9-15(4-5-35(20)21)19-13-34(6-7-36)33-31-19/h2-5,8-9,12-13,17,36H,6-7,10-11H2,1H3,(H,29,37)
InChIKeyYIDCEVNXBMMFHY-UHFFFAOYSA-N
XLogP3.71
TPSA136.26 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.50
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-[1-(2-hydroxyethyl)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-[1-(2-hydroxyethyl)triazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71280804) is N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-[1-(2-hydroxyethyl)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-[1-(2-hydroxyethyl)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-[1-(2-hydroxyethyl)triazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2cc(-c3cn(CCO)nn3)ccn12.
What is the InChIKey of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-[1-(2-hydroxyethyl)triazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is YIDCEVNXBMMFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N8O3/c1-14-2-3-16(22-30-24(38-32-22)17-10-25(26,27)11-17)8-18(14)29-23(37)20-12-28-21-9-15(4-5-35(20)21)19-13-34(6-7-36)33-31-19/h2-5,8-9,12-13,17,36H,6-7,10-11H2,1H3,(H,29,37).
What are the key properties of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-[1-(2-hydroxyethyl)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-[1-(2-hydroxyethyl)triazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 520.50 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 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]-7-[1-(2-hydroxyethyl)triazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71280804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).