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

C24H18F2N6O2S — CID 71280488

IUPACN-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccc(-c3cscn3)cn12
InChIInChI=1S/C24H18F2N6O2S/c1-13-2-3-14(21-30-23(34-31-21)16-7-24(25,26)8-16)6-17(13)29-22(33)19-9-27-20-5-4-15(10-32(19)20)18-11-35-12-28-18/h2-6,9-12,16H,7-8H2,1H3,(H,29,33)
InChIKeyFZYVKXRUCUFWPT-UHFFFAOYSA-N
MW492.51 g/mol
LogP5.58
Rot. Bonds5

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

N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71280488) has the molecular formula C24H18F2N6O2S and a molecular weight of 492.51 g/mol. Its IUPAC name is N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(1,3-thiazol-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]-6-(1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71280488
Molecular FormulaC24H18F2N6O2S
Molecular Weight492.51 g/mol
Exact Mass492.12
IUPAC NameN-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccc(-c3cscn3)cn12
InChIInChI=1S/C24H18F2N6O2S/c1-13-2-3-14(21-30-23(34-31-21)16-7-24(25,26)8-16)6-17(13)29-22(33)19-9-27-20-5-4-15(10-32(19)20)18-11-35-12-28-18/h2-6,9-12,16H,7-8H2,1H3,(H,29,33)
InChIKeyFZYVKXRUCUFWPT-UHFFFAOYSA-N
XLogP5.58
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.51
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(1,3-thiazol-4-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-(1,3-thiazol-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]-6-(1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 71280488) is N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(1,3-thiazol-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]-6-(1,3-thiazol-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]-6-(1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccc(-c3cscn3)cn12.
What is the InChIKey of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is FZYVKXRUCUFWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N6O2S/c1-13-2-3-14(21-30-23(34-31-21)16-7-24(25,26)8-16)6-17(13)29-22(33)19-9-27-20-5-4-15(10-32(19)20)18-11-35-12-28-18/h2-6,9-12,16H,7-8H2,1H3,(H,29,33).
What are the key properties of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-(1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 492.51 g/mol, XLogP of 5.58, 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-(1,3-thiazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71280488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).