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

C23H19F4N5O — CID 167142282

IUPAC4-(2,2-difluoroethylamino)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide
SMILESO=C(Nc1ccc(Nc2cccc3nc(C(F)F)cn23)cc1)c1ccc(NCC(F)F)cc1
InChIInChI=1S/C23H19F4N5O/c24-19(25)12-28-15-6-4-14(5-7-15)23(33)30-17-10-8-16(9-11-17)29-20-2-1-3-21-31-18(22(26)27)13-32(20)21/h1-11,13,19,22,28-29H,12H2,(H,30,33)
InChIKeyHFYKMJCWNJRZIC-UHFFFAOYSA-N
MW457.43 g/mol
LogP5.94
Rot. Bonds8

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

4-(2,2-difluoroethylamino)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide (PubChem CID 167142282) has the molecular formula C23H19F4N5O and a molecular weight of 457.43 g/mol. Its IUPAC name is 4-(2,2-difluoroethylamino)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide.

Molecular Properties

Compound Name4-(2,2-difluoroethylamino)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide
PubChem CID167142282
Molecular FormulaC23H19F4N5O
Molecular Weight457.43 g/mol
Exact Mass457.15
IUPAC Name4-(2,2-difluoroethylamino)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide
SMILESO=C(Nc1ccc(Nc2cccc3nc(C(F)F)cn23)cc1)c1ccc(NCC(F)F)cc1
InChIInChI=1S/C23H19F4N5O/c24-19(25)12-28-15-6-4-14(5-7-15)23(33)30-17-10-8-16(9-11-17)29-20-2-1-3-21-31-18(22(26)27)13-32(20)21/h1-11,13,19,22,28-29H,12H2,(H,30,33)
InChIKeyHFYKMJCWNJRZIC-UHFFFAOYSA-N
XLogP5.94
TPSA70.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.43
LogP ≤ 55.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
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-cyano-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide
CID 167141625
4-(3,3-difluoropropylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 166009130
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
N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3-(2-fluoropropylamino)-1-methylpyrazole-4-carboxamide
CID 177065631
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide
CID 112982456
4-tert-butyl-N-[5-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59175370

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethylamino)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide?
The IUPAC name of 4-(2,2-difluoroethylamino)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide (CID 167142282) is 4-(2,2-difluoroethylamino)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide.
What is the SMILES notation for 4-(2,2-difluoroethylamino)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide?
The canonical SMILES for 4-(2,2-difluoroethylamino)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide is O=C(Nc1ccc(Nc2cccc3nc(C(F)F)cn23)cc1)c1ccc(NCC(F)F)cc1.
What is the InChIKey of 4-(2,2-difluoroethylamino)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide?
The InChIKey is HFYKMJCWNJRZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F4N5O/c24-19(25)12-28-15-6-4-14(5-7-15)23(33)30-17-10-8-16(9-11-17)29-20-2-1-3-21-31-18(22(26)27)13-32(20)21/h1-11,13,19,22,28-29H,12H2,(H,30,33).
What are the key properties of 4-(2,2-difluoroethylamino)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide?
4-(2,2-difluoroethylamino)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide has a molecular weight of 457.43 g/mol, XLogP of 5.94, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethylamino)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]benzamide is sourced from PubChem (CID 167142282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).