2-cyano-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide

C22H14F3N5O — CID 167141625

IUPAC2-cyano-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide
SMILESN#Cc1ccccc1C(=O)Nc1ccc(Nc2cccc3nc(C(F)(F)F)cn23)cc1
InChIInChI=1S/C22H14F3N5O/c23-22(24,25)18-13-30-19(6-3-7-20(30)29-18)27-15-8-10-16(11-9-15)28-21(31)17-5-2-1-4-14(17)12-26/h1-11,13,27H,(H,28,31)
InChIKeyPFQIITZVQKDTHV-UHFFFAOYSA-N
MW421.38 g/mol
LogP5.22
Rot. Bonds4

About 2-cyano-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide

2-cyano-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide (PubChem CID 167141625) has the molecular formula C22H14F3N5O and a molecular weight of 421.38 g/mol. Its IUPAC name is 2-cyano-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide.

Molecular Properties

Compound Name2-cyano-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide
PubChem CID167141625
Molecular FormulaC22H14F3N5O
Molecular Weight421.38 g/mol
Exact Mass421.12
IUPAC Name2-cyano-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide
SMILESN#Cc1ccccc1C(=O)Nc1ccc(Nc2cccc3nc(C(F)(F)F)cn23)cc1
InChIInChI=1S/C22H14F3N5O/c23-22(24,25)18-13-30-19(6-3-7-20(30)29-18)27-15-8-10-16(11-9-15)28-21(31)17-5-2-1-4-14(17)12-26/h1-11,13,27H,(H,28,31)
InChIKeyPFQIITZVQKDTHV-UHFFFAOYSA-N
XLogP5.22
TPSA82.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.38
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]pyridine-3-carboxamide
CID 167141634
2,3-dioxo-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1H-indole-7-carboxamide
CID 167142286
5-methoxy-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1H-pyrazole-4-carboxamide
CID 167141611
2-chloro-4-[methyl(2,2,2-trifluoroethyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide
CID 167142197
N-[4-[(2-cyanoimidazo[1,2-a]pyridin-5-yl)amino]phenyl]-4-(methylamino)benzamide
CID 164558005
3-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide
CID 167141708
4-(2,2-difluoroethylamino)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide
CID 167142282
N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-2-fluoro-4-methoxybenzamide
CID 164558054
1-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-5-methylpyrrole-3-carboxamide
CID 164558481
N-phenyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carboxamide
CID 118112949
N-[4-(2-cyanoanilino)phenyl]benzamide
CID 112989829
3-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,2-thiazole-4-carboxamide
CID 164558406

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide?
The IUPAC name of 2-cyano-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide (CID 167141625) is 2-cyano-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide.
What is the SMILES notation for 2-cyano-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide?
The canonical SMILES for 2-cyano-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide is N#Cc1ccccc1C(=O)Nc1ccc(Nc2cccc3nc(C(F)(F)F)cn23)cc1.
What is the InChIKey of 2-cyano-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide?
The InChIKey is PFQIITZVQKDTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N5O/c23-22(24,25)18-13-30-19(6-3-7-20(30)29-18)27-15-8-10-16(11-9-15)28-21(31)17-5-2-1-4-14(17)12-26/h1-11,13,27H,(H,28,31).
What are the key properties of 2-cyano-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide?
2-cyano-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide has a molecular weight of 421.38 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide is sourced from PubChem (CID 167141625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).