N-[(4-phenoxyphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide

C22H16F3N3O2 — CID 70693464

IUPACN-[(4-phenoxyphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(Oc2ccccc2)cc1)c1c(C(F)(F)F)nc2ccccn12
InChIInChI=1S/C22H16F3N3O2/c23-22(24,25)20-19(28-13-5-4-8-18(28)27-20)21(29)26-14-15-9-11-17(12-10-15)30-16-6-2-1-3-7-16/h1-13H,14H2,(H,26,29)
InChIKeyXSCBXUJYZPASHH-UHFFFAOYSA-N
MW411.38 g/mol
LogP5.08
Rot. Bonds5

About N-[(4-phenoxyphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide

N-[(4-phenoxyphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 70693464) has the molecular formula C22H16F3N3O2 and a molecular weight of 411.38 g/mol. Its IUPAC name is N-[(4-phenoxyphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-phenoxyphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID70693464
Molecular FormulaC22H16F3N3O2
Molecular Weight411.38 g/mol
Exact Mass411.12
IUPAC NameN-[(4-phenoxyphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(Oc2ccccc2)cc1)c1c(C(F)(F)F)nc2ccccn12
InChIInChI=1S/C22H16F3N3O2/c23-22(24,25)20-19(28-13-5-4-8-18(28)27-20)21(29)26-14-15-9-11-17(12-10-15)30-16-6-2-1-3-7-16/h1-13H,14H2,(H,26,29)
InChIKeyXSCBXUJYZPASHH-UHFFFAOYSA-N
XLogP5.08
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.38
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 134817161
2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;methane
CID 161026096
N-[[3-fluoro-4-[3-methyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 165126387
2-[4-(hydroxymethyl)phenoxy]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61360290
2-ethyl-7-methyl-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71009979
2-ethyl-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121442149
1-[3-(benzylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]ethyl thiohypoiodite
CID 118944790
N-[(4-phenoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 60618920
N-[(4-phenoxyphenyl)methyl]-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 67315725
1-methyl-N-[(4-phenoxyphenyl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 60618949
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099
2,7-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121274552

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenoxyphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(4-phenoxyphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 70693464) is N-[(4-phenoxyphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-phenoxyphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-phenoxyphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide is O=C(NCc1ccc(Oc2ccccc2)cc1)c1c(C(F)(F)F)nc2ccccn12.
What is the InChIKey of N-[(4-phenoxyphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is XSCBXUJYZPASHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O2/c23-22(24,25)20-19(28-13-5-4-8-18(28)27-20)21(29)26-14-15-9-11-17(12-10-15)30-16-6-2-1-3-7-16/h1-13H,14H2,(H,26,29).
What are the key properties of N-[(4-phenoxyphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
N-[(4-phenoxyphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 411.38 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenoxyphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 70693464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).