3-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide

C22H20ClF3N6O — CID 167141708

IUPAC3-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide
SMILESCC(C)(F)Cn1cc(C(=O)Nc2ccc(Nc3cccc4nc(C(F)F)cn34)cc2)c(Cl)n1
InChIInChI=1S/C22H20ClF3N6O/c1-22(2,26)12-31-10-15(19(23)30-31)21(33)28-14-8-6-13(7-9-14)27-17-4-3-5-18-29-16(20(24)25)11-32(17)18/h3-11,20,27H,12H2,1-2H3,(H,28,33)
InChIKeyFLTALKQEJZENFR-UHFFFAOYSA-N
MW476.89 g/mol
LogP5.87
Rot. Bonds7

About 3-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide

3-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 167141708) has the molecular formula C22H20ClF3N6O and a molecular weight of 476.89 g/mol. Its IUPAC name is 3-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide
PubChem CID167141708
Molecular FormulaC22H20ClF3N6O
Molecular Weight476.89 g/mol
Exact Mass476.13
IUPAC Name3-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide
SMILESCC(C)(F)Cn1cc(C(=O)Nc2ccc(Nc3cccc4nc(C(F)F)cn34)cc2)c(Cl)n1
InChIInChI=1S/C22H20ClF3N6O/c1-22(2,26)12-31-10-15(19(23)30-31)21(33)28-14-8-6-13(7-9-14)27-17-4-3-5-18-29-16(20(24)25)11-32(17)18/h3-11,20,27H,12H2,1-2H3,(H,28,33)
InChIKeyFLTALKQEJZENFR-UHFFFAOYSA-N
XLogP5.87
TPSA76.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.89
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-6-ethylpyridine-3-carboxamide
CID 164558244
1-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-5-methylpyrrole-3-carboxamide
CID 164558481
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
5-methoxy-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1H-pyrazole-4-carboxamide
CID 167141611
2-cyano-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide
CID 167141625
2,3-dioxo-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1H-indole-7-carboxamide
CID 167142286
N-[4-[(2-cyanoimidazo[1,2-a]pyridin-5-yl)amino]phenyl]-4-(methylamino)benzamide
CID 164558005
N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]pyridine-3-carboxamide
CID 167141634
2-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-4-methoxybenzamide
CID 166009158
N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3-(2-fluoropropylamino)-1-methylpyrazole-4-carboxamide
CID 177065631

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 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) is 3-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide is CC(C)(F)Cn1cc(C(=O)Nc2ccc(Nc3cccc4nc(C(F)F)cn34)cc2)c(Cl)n1.
What is the InChIKey of 3-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is FLTALKQEJZENFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N6O/c1-22(2,26)12-31-10-15(19(23)30-31)21(33)28-14-8-6-13(7-9-14)27-17-4-3-5-18-29-16(20(24)25)11-32(17)18/h3-11,20,27H,12H2,1-2H3,(H,28,33).
What are the key properties of 3-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide?
3-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 476.89 g/mol, XLogP of 5.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1-(2-fluoro-2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 167141708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).