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

C22H17F3N4O2 — CID 164558054

IUPACN-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3cccc4nc(C(F)F)cn34)cc2)c(F)c1
InChIInChI=1S/C22H17F3N4O2/c1-31-15-9-10-16(17(23)11-15)22(30)27-14-7-5-13(6-8-14)26-19-3-2-4-20-28-18(21(24)25)12-29(19)20/h2-12,21,26H,1H3,(H,27,30)
InChIKeyLPNNJNMYHBSDGE-UHFFFAOYSA-N
MW426.40 g/mol
LogP5.42
Rot. Bonds6

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

N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-2-fluoro-4-methoxybenzamide (PubChem CID 164558054) has the molecular formula C22H17F3N4O2 and a molecular weight of 426.40 g/mol. Its IUPAC name is N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-2-fluoro-4-methoxybenzamide
PubChem CID164558054
Molecular FormulaC22H17F3N4O2
Molecular Weight426.40 g/mol
Exact Mass426.13
IUPAC NameN-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3cccc4nc(C(F)F)cn34)cc2)c(F)c1
InChIInChI=1S/C22H17F3N4O2/c1-31-15-9-10-16(17(23)11-15)22(30)27-14-7-5-13(6-8-14)26-19-3-2-4-20-28-18(21(24)25)12-29(19)20/h2-12,21,26H,1H3,(H,27,30)
InChIKeyLPNNJNMYHBSDGE-UHFFFAOYSA-N
XLogP5.42
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.40
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
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]-6-ethylpyridine-3-carboxamide
CID 164558244
2-chloro-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-4-methoxybenzamide
CID 166009158
N-[4-(bromomethyl)phenyl]-2-fluoro-4-methoxybenzamide
CID 102885234
5-methoxy-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-1H-pyrazole-4-carboxamide
CID 167141611
N-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 27843918
N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxybenzamide
CID 103804947
2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 4796910
N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]-4-methylcyclohexyl]-3-methoxybenzamide
CID 167141685
2-fluoro-4-methoxy-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 38403308

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-2-fluoro-4-methoxybenzamide?
The IUPAC name of N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-2-fluoro-4-methoxybenzamide (CID 164558054) is N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-2-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-2-fluoro-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Nc3cccc4nc(C(F)F)cn34)cc2)c(F)c1.
What is the InChIKey of N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-2-fluoro-4-methoxybenzamide?
The InChIKey is LPNNJNMYHBSDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O2/c1-31-15-9-10-16(17(23)11-15)22(30)27-14-7-5-13(6-8-14)26-19-3-2-4-20-28-18(21(24)25)12-29(19)20/h2-12,21,26H,1H3,(H,27,30).
What are the key properties of N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-2-fluoro-4-methoxybenzamide?
N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-2-fluoro-4-methoxybenzamide has a molecular weight of 426.40 g/mol, XLogP of 5.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-2-fluoro-4-methoxybenzamide is sourced from PubChem (CID 164558054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).