N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-6-ethylpyridine-3-carboxamide

C22H19F2N5O — CID 164558244

IUPACN-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-6-ethylpyridine-3-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc(Nc3cccc4nc(C(F)F)cn34)cc2)cn1
InChIInChI=1S/C22H19F2N5O/c1-2-15-7-6-14(12-25-15)22(30)27-17-10-8-16(9-11-17)26-19-4-3-5-20-28-18(21(23)24)13-29(19)20/h3-13,21,26H,2H2,1H3,(H,27,30)
InChIKeyHAFBBVQNVURBCI-UHFFFAOYSA-N
MW407.42 g/mol
LogP5.23
Rot. Bonds6

About N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-6-ethylpyridine-3-carboxamide

N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-6-ethylpyridine-3-carboxamide (PubChem CID 164558244) has the molecular formula C22H19F2N5O and a molecular weight of 407.42 g/mol. Its IUPAC name is N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-6-ethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-6-ethylpyridine-3-carboxamide
PubChem CID164558244
Molecular FormulaC22H19F2N5O
Molecular Weight407.42 g/mol
Exact Mass407.16
IUPAC NameN-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-6-ethylpyridine-3-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc(Nc3cccc4nc(C(F)F)cn34)cc2)cn1
InChIInChI=1S/C22H19F2N5O/c1-2-15-7-6-14(12-25-15)22(30)27-17-10-8-16(9-11-17)26-19-4-3-5-20-28-18(21(23)24)13-29(19)20/h3-13,21,26H,2H2,1H3,(H,27,30)
InChIKeyHAFBBVQNVURBCI-UHFFFAOYSA-N
XLogP5.23
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.42
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
1-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-5-methylpyrrole-3-carboxamide
CID 164558481
N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-2-fluoro-4-methoxybenzamide
CID 164558054
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
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
6-(4-acetamidoanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109163310
6-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109163316
N-(3-acetylphenyl)-6-(4-ethylanilino)pyridine-3-carboxamide
CID 109162858
6-(2-chlorophenyl)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 58639429
2-(4-acetylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide
CID 109267464

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-6-ethylpyridine-3-carboxamide?
The IUPAC name of N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-6-ethylpyridine-3-carboxamide (CID 164558244) is N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-6-ethylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-6-ethylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-6-ethylpyridine-3-carboxamide is CCc1ccc(C(=O)Nc2ccc(Nc3cccc4nc(C(F)F)cn34)cc2)cn1.
What is the InChIKey of N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-6-ethylpyridine-3-carboxamide?
The InChIKey is HAFBBVQNVURBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O/c1-2-15-7-6-14(12-25-15)22(30)27-17-10-8-16(9-11-17)26-19-4-3-5-20-28-18(21(23)24)13-29(19)20/h3-13,21,26H,2H2,1H3,(H,27,30).
What are the key properties of N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-6-ethylpyridine-3-carboxamide?
N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]phenyl]-6-ethylpyridine-3-carboxamide has a molecular weight of 407.42 g/mol, XLogP of 5.23, 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]-6-ethylpyridine-3-carboxamide is sourced from PubChem (CID 164558244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).