4-N-[1-[1-(2,2-difluoroethyl)-5-(difluoromethyl)pyrazol-4-yl]ethenyl]-1-N-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine

C22H23F7N6 — CID 164558373

IUPAC4-N-[1-[1-(2,2-difluoroethyl)-5-(difluoromethyl)pyrazol-4-yl]ethenyl]-1-N-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine
SMILESC=C(NC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1)c1cnn(CC(F)F)c1C(F)F
InChIInChI=1S/C22H23F7N6/c1-12(15-9-30-35(11-17(23)24)20(15)21(25)26)31-13-5-7-14(8-6-13)32-18-3-2-4-19-33-16(10-34(18)19)22(27,28)29/h2-4,9-10,13-14,17,21,31-32H,1,5-8,11H2
InChIKeyZTAVZMLCFZOHPW-UHFFFAOYSA-N
MW504.45 g/mol
LogP5.74
Rot. Bonds8

About 4-N-[1-[1-(2,2-difluoroethyl)-5-(difluoromethyl)pyrazol-4-yl]ethenyl]-1-N-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine

4-N-[1-[1-(2,2-difluoroethyl)-5-(difluoromethyl)pyrazol-4-yl]ethenyl]-1-N-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine (PubChem CID 164558373) has the molecular formula C22H23F7N6 and a molecular weight of 504.45 g/mol. Its IUPAC name is 4-N-[1-[1-(2,2-difluoroethyl)-5-(difluoromethyl)pyrazol-4-yl]ethenyl]-1-N-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-[1-(2,2-difluoroethyl)-5-(difluoromethyl)pyrazol-4-yl]ethenyl]-1-N-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine
PubChem CID164558373
Molecular FormulaC22H23F7N6
Molecular Weight504.45 g/mol
Exact Mass504.19
IUPAC Name4-N-[1-[1-(2,2-difluoroethyl)-5-(difluoromethyl)pyrazol-4-yl]ethenyl]-1-N-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine
SMILESC=C(NC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1)c1cnn(CC(F)F)c1C(F)F
InChIInChI=1S/C22H23F7N6/c1-12(15-9-30-35(11-17(23)24)20(15)21(25)26)31-13-5-7-14(8-6-13)32-18-3-2-4-19-33-16(10-34(18)19)22(27,28)29/h2-4,9-10,13-14,17,21,31-32H,1,5-8,11H2
InChIKeyZTAVZMLCFZOHPW-UHFFFAOYSA-N
XLogP5.74
TPSA59.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.45
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(difluoromethyl)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide
CID 166009020
cis-(1S,4R)-1-N-[1-(6-methyl-3-pyridinyl)ethenyl]-4-N-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]cycloheptane-1,4-diamine;ethane
CID 164558015
4-(3,3-difluoropropylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 166009130
2-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 164558189
N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-indazole-7-carboxamide
CID 164558388
N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 166009116
1-N-[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]-4-N-[1-(1,4-dimethylpyrrol-3-yl)ethenyl]cyclohexane-1,4-diamine
CID 164558503
3-[2,2-difluoroethyl(methyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 164558091
3-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,2-thiazole-4-carboxamide
CID 164558406
3-amino-2-methanimidoyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 167142206
N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-indole-3-carboxamide
CID 166009171
(E)-2-(5-amino-1H-pyrazol-4-yl)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]but-2-enamide
CID 168782777

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-[1-(2,2-difluoroethyl)-5-(difluoromethyl)pyrazol-4-yl]ethenyl]-1-N-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[1-[1-(2,2-difluoroethyl)-5-(difluoromethyl)pyrazol-4-yl]ethenyl]-1-N-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine (CID 164558373) is 4-N-[1-[1-(2,2-difluoroethyl)-5-(difluoromethyl)pyrazol-4-yl]ethenyl]-1-N-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[1-[1-(2,2-difluoroethyl)-5-(difluoromethyl)pyrazol-4-yl]ethenyl]-1-N-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[1-[1-(2,2-difluoroethyl)-5-(difluoromethyl)pyrazol-4-yl]ethenyl]-1-N-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine is C=C(NC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1)c1cnn(CC(F)F)c1C(F)F.
What is the InChIKey of 4-N-[1-[1-(2,2-difluoroethyl)-5-(difluoromethyl)pyrazol-4-yl]ethenyl]-1-N-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine?
The InChIKey is ZTAVZMLCFZOHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F7N6/c1-12(15-9-30-35(11-17(23)24)20(15)21(25)26)31-13-5-7-14(8-6-13)32-18-3-2-4-19-33-16(10-34(18)19)22(27,28)29/h2-4,9-10,13-14,17,21,31-32H,1,5-8,11H2.
What are the key properties of 4-N-[1-[1-(2,2-difluoroethyl)-5-(difluoromethyl)pyrazol-4-yl]ethenyl]-1-N-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine?
4-N-[1-[1-(2,2-difluoroethyl)-5-(difluoromethyl)pyrazol-4-yl]ethenyl]-1-N-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine has a molecular weight of 504.45 g/mol, XLogP of 5.74, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-[1-(2,2-difluoroethyl)-5-(difluoromethyl)pyrazol-4-yl]ethenyl]-1-N-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 164558373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).