N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide

C21H20F3N3O — CID 42694204

IUPACN-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide
SMILESO=C(Nc1c(-c2ccc(C(F)(F)F)cc2)nc2ccccn12)C1CCCCC1
InChIInChI=1S/C21H20F3N3O/c22-21(23,24)16-11-9-14(10-12-16)18-19(27-13-5-4-8-17(27)25-18)26-20(28)15-6-2-1-3-7-15/h4-5,8-13,15H,1-3,6-7H2,(H,26,28)
InChIKeyXTMJISQMHFUUPN-UHFFFAOYSA-N
MW387.41 g/mol
LogP5.54
Rot. Bonds3

About N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide

N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide (PubChem CID 42694204) has the molecular formula C21H20F3N3O and a molecular weight of 387.41 g/mol. Its IUPAC name is N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide
PubChem CID42694204
Molecular FormulaC21H20F3N3O
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC NameN-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide
SMILESO=C(Nc1c(-c2ccc(C(F)(F)F)cc2)nc2ccccn12)C1CCCCC1
InChIInChI=1S/C21H20F3N3O/c22-21(23,24)16-11-9-14(10-12-16)18-19(27-13-5-4-8-17(27)25-18)26-20(28)15-6-2-1-3-7-15/h4-5,8-13,15H,1-3,6-7H2,(H,26,28)
InChIKeyXTMJISQMHFUUPN-UHFFFAOYSA-N
XLogP5.54
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.41
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclopentanecarboxamide
CID 42694207
N-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]cyclobutanecarboxamide
CID 42694066
N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]cyclobutanecarboxamide
CID 42693744
N-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide
CID 42693768
4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide
CID 42694194
N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-(trifluoromethyl)benzamide
CID 42693739
3,5-dichloro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide
CID 42694201
2-(4-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]acetamide
CID 42694212
N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)cyclohexanecarboxamide
CID 40656282
N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]octanamide
CID 42694186
N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)cyclohexanecarboxamide
CID 18282898
1-cyclopentyl-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]urea
CID 50847510

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide (CID 42694204) is N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide is O=C(Nc1c(-c2ccc(C(F)(F)F)cc2)nc2ccccn12)C1CCCCC1.
What is the InChIKey of N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide?
The InChIKey is XTMJISQMHFUUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O/c22-21(23,24)16-11-9-14(10-12-16)18-19(27-13-5-4-8-17(27)25-18)26-20(28)15-6-2-1-3-7-15/h4-5,8-13,15H,1-3,6-7H2,(H,26,28).
What are the key properties of N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide?
N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide has a molecular weight of 387.41 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 42694204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).