2-[4-(difluoromethoxy)anilino]-6-(4-fluoro-2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile;2-(4-fluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile

C82H51F15N22O2 — CID 159125233

IUPAC2-[4-(difluoromethoxy)anilino]-6-(4-fluoro-2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile;2-(4-fluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile
SMILESCc1nc2c(F)cccc2n1-c1cc(C#N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2c(F)cccc2n1-c1cc(C#N)cc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ncc(F)cn2c1-c1cc(C#N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ncc(F)cn2c1-c1cc(C#N)cc(Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C21H13F4N5.C21H14F3N5O.C20H12F4N6O.C20H12F4N6/c1-12-27-20-16(22)3-2-4-17(20)30(12)19-10-13(11-26)9-18(29-19)28-15-7-5-14(6-8-15)21(23,24)25;1-12-26-20-16(22)3-2-4-17(20)29(12)19-10-13(11-25)9-18(28-19)27-14-5-7-15(8-6-14)30-21(23)24;1-11-18(30-10-13(21)9-26-19(30)27-11)16-6-12(8-25)7-17(29-16)28-14-2-4-15(5-3-14)31-20(22,23)24;1-11-18(30-10-14(21)9-26-19(30)27-11)16-6-12(8-25)7-17(29-16)28-15-4-2-13(3-5-15)20(22,23)24/h2-10H,1H3,(H,28,29);2-10,21H,1H3,(H,27,28);2-7,9-10H,1H3,(H,28,29);2-7,9-10H,1H3,(H,28,29)
InChIKeyKGEPABWHSHVSCM-UHFFFAOYSA-N
MW1661.43 g/mol
LogP20.21
Rot. Bonds15

About 2-[4-(difluoromethoxy)anilino]-6-(4-fluoro-2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile;2-(4-fluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile

2-[4-(difluoromethoxy)anilino]-6-(4-fluoro-2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile;2-(4-fluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile (PubChem CID 159125233) has the molecular formula C82H51F15N22O2 and a molecular weight of 1661.43 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)anilino]-6-(4-fluoro-2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile;2-(4-fluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)anilino]-6-(4-fluoro-2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile;2-(4-fluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile
PubChem CID159125233
Molecular FormulaC82H51F15N22O2
Molecular Weight1661.43 g/mol
Exact Mass1660.43
IUPAC Name2-[4-(difluoromethoxy)anilino]-6-(4-fluoro-2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile;2-(4-fluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile
SMILESCc1nc2c(F)cccc2n1-c1cc(C#N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2c(F)cccc2n1-c1cc(C#N)cc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ncc(F)cn2c1-c1cc(C#N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ncc(F)cn2c1-c1cc(C#N)cc(Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C21H13F4N5.C21H14F3N5O.C20H12F4N6O.C20H12F4N6/c1-12-27-20-16(22)3-2-4-17(20)30(12)19-10-13(11-26)9-18(29-19)28-15-7-5-14(6-8-15)21(23,24)25;1-12-26-20-16(22)3-2-4-17(20)29(12)19-10-13(11-25)9-18(28-19)27-14-5-7-15(8-6-14)30-21(23)24;1-11-18(30-10-13(21)9-26-19(30)27-11)16-6-12(8-25)7-17(29-16)28-14-2-4-15(5-3-14)31-20(22,23)24;1-11-18(30-10-14(21)9-26-19(30)27-11)16-6-12(8-25)7-17(29-16)28-15-4-2-13(3-5-15)20(22,23)24/h2-10H,1H3,(H,28,29);2-10,21H,1H3,(H,27,28);2-7,9-10H,1H3,(H,28,29);2-7,9-10H,1H3,(H,28,29)
InChIKeyKGEPABWHSHVSCM-UHFFFAOYSA-N
XLogP20.21
TPSA309.32 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001661.43
LogP ≤ 520.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze 2-[4-(difluoromethoxy)anilino]-6-(4-fluoro-2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile;2-(4-fluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile with MolForge

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Related Compounds

2-[4-(Difluoromethoxy)-3-fluoroanilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile
CID 118094830
6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118094917
N-methyl-1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazol-2-amine;1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazole-2-carbonitrile
CID 118094975
N-(4-methoxyphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine;N-(4-methylphenyl)-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrazin-2-amine
CID 118095029
2-(6-Fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile
CID 118095035
2-[4-(Difluoromethoxy)anilino]-6-(6,8-difluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile
CID 118101506
2-[4-(Difluoromethoxy)-3-fluoroanilino]-6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)pyridine-4-carbonitrile
CID 118101508
2-[4-(Difluoromethoxy)-3-fluoroanilino]-6-(6,8-difluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile
CID 118101509
2-[3-(Fluoromethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
CID 118975974
N-(3-fluoro-4-methoxyphenyl)-3-[[11-[(5-fluoro-3-pyridinyl)amino]-3-[[11-[(6-fluoro-2-pyridinyl)amino]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]methyl]-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-amine
CID 123428579
6-[9-[[2-(benzimidazol-1-yl)-9-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-8-oxopurin-7-yl]-pyridin-3-ylmethyl]-2-(5-cyanobenzimidazol-1-yl)-8-oxopurin-7-yl]-3-[8-oxo-9-(1-pyridin-3-ylethyl)-7H-purin-2-yl]benzimidazole-5-carbonitrile
CID 143306723
(6S)-1-[2-(difluoromethoxy)-6-[[1-[2-(difluoromethoxy)-3-pyridinyl]-6-methyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-3-pyridinyl]-3,6-dimethyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 153629409

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)anilino]-6-(4-fluoro-2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile;2-(4-fluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-(difluoromethoxy)anilino]-6-(4-fluoro-2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile;2-(4-fluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile (CID 159125233) is 2-[4-(difluoromethoxy)anilino]-6-(4-fluoro-2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile;2-(4-fluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-(difluoromethoxy)anilino]-6-(4-fluoro-2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile;2-(4-fluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-(difluoromethoxy)anilino]-6-(4-fluoro-2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile;2-(4-fluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile is Cc1nc2c(F)cccc2n1-c1cc(C#N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2c(F)cccc2n1-c1cc(C#N)cc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ncc(F)cn2c1-c1cc(C#N)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ncc(F)cn2c1-c1cc(C#N)cc(Nc2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 2-[4-(difluoromethoxy)anilino]-6-(4-fluoro-2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile;2-(4-fluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile?
The InChIKey is KGEPABWHSHVSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F4N5.C21H14F3N5O.C20H12F4N6O.C20H12F4N6/c1-12-27-20-16(22)3-2-4-17(20)30(12)19-10-13(11-26)9-18(29-19)28-15-7-5-14(6-8-15)21(23,24)25;1-12-26-20-16(22)3-2-4-17(20)29(12)19-10-13(11-25)9-18(28-19)27-14-5-7-15(8-6-14)30-21(23)24;1-11-18(30-10-13(21)9-26-19(30)27-11)16-6-12(8-25)7-17(29-16)28-14-2-4-15(5-3-14)31-20(22,23)24;1-11-18(30-10-14(21)9-26-19(30)27-11)16-6-12(8-25)7-17(29-16)28-15-4-2-13(3-5-15)20(22,23)24/h2-10H,1H3,(H,28,29);2-10,21H,1H3,(H,27,28);2-7,9-10H,1H3,(H,28,29);2-7,9-10H,1H3,(H,28,29).
What are the key properties of 2-[4-(difluoromethoxy)anilino]-6-(4-fluoro-2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile;2-(4-fluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile?
2-[4-(difluoromethoxy)anilino]-6-(4-fluoro-2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile;2-(4-fluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile has a molecular weight of 1661.43 g/mol, XLogP of 20.21, 15 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)anilino]-6-(4-fluoro-2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile;2-(4-fluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile is sourced from PubChem (CID 159125233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).