N-(4-chloro-3-fluorophenyl)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine;2-(3-fluoroanilino)-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-(3-methoxyanilino)pyridine-4-carbonitrile

C99H70ClF14N25O3 — CID 159744803

IUPACN-(4-chloro-3-fluorophenyl)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine;2-(3-fluoroanilino)-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-(3-methoxyanilino)pyridine-4-carbonitrile
SMILESCOc1cccc(Nc2cc(C#N)cc(-c3c(C)nc4ccc(F)cn34)n2)c1.Cc1nc2cc(F)c(F)cc2n1-c1cc(N)cc(Nc2ccc(OC(F)(F)F)cc2)n1.Cc1nc2cc(F)c(F)cc2n1-c1cc(N)cc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ccc(F)cc2n1-c1cncc(Nc2ccc(Cl)c(F)c2)n1.Cc1nc2ccc(F)cn2c1-c1cc(C#N)cc(Nc2cccc(F)c2)n1
InChIInChI=1S/C21H16FN5O.C20H14F5N5O.C20H15F4N5O.C20H13F2N5.C18H12ClF2N5/c1-13-21(27-12-15(22)6-7-20(27)24-13)18-8-14(11-23)9-19(26-18)25-16-4-3-5-17(10-16)28-2;1-10-27-16-8-14(21)15(22)9-17(16)30(10)19-7-11(26)6-18(29-19)28-12-2-4-13(5-3-12)31-20(23,24)25;1-10-26-16-8-14(21)15(22)9-17(16)29(10)19-7-11(25)6-18(28-19)27-12-2-4-13(5-3-12)30-20(23)24;1-12-20(27-11-15(22)5-6-19(27)24-12)17-7-13(10-23)8-18(26-17)25-16-4-2-3-14(21)9-16;1-10-23-15-5-2-11(20)6-16(15)26(10)18-9-22-8-17(25-18)24-12-3-4-13(19)14(21)7-12/h3-10,12H,1-2H3,(H,25,26);2-9H,1H3,(H3,26,28,29);2-9,20H,1H3,(H3,25,27,28);2-9,11H,1H3,(H,25,26);2-9H,1H3,(H,24,25)
InChIKeyNCXGMMBQZTVTAX-UHFFFAOYSA-N
MW1959.25 g/mol
LogP24.03
Rot. Bonds19

About N-(4-chloro-3-fluorophenyl)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine;2-(3-fluoroanilino)-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-(3-methoxyanilino)pyridine-4-carbonitrile

N-(4-chloro-3-fluorophenyl)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine;2-(3-fluoroanilino)-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-(3-methoxyanilino)pyridine-4-carbonitrile (PubChem CID 159744803) has the molecular formula C99H70ClF14N25O3 and a molecular weight of 1959.25 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine;2-(3-fluoroanilino)-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-(3-methoxyanilino)pyridine-4-carbonitrile.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine;2-(3-fluoroanilino)-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-(3-methoxyanilino)pyridine-4-carbonitrile
PubChem CID159744803
Molecular FormulaC99H70ClF14N25O3
Molecular Weight1959.25 g/mol
Exact Mass1957.56
IUPAC NameN-(4-chloro-3-fluorophenyl)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine;2-(3-fluoroanilino)-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-(3-methoxyanilino)pyridine-4-carbonitrile
SMILESCOc1cccc(Nc2cc(C#N)cc(-c3c(C)nc4ccc(F)cn34)n2)c1.Cc1nc2cc(F)c(F)cc2n1-c1cc(N)cc(Nc2ccc(OC(F)(F)F)cc2)n1.Cc1nc2cc(F)c(F)cc2n1-c1cc(N)cc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ccc(F)cc2n1-c1cncc(Nc2ccc(Cl)c(F)c2)n1.Cc1nc2ccc(F)cn2c1-c1cc(C#N)cc(Nc2cccc(F)c2)n1
InChIInChI=1S/C21H16FN5O.C20H14F5N5O.C20H15F4N5O.C20H13F2N5.C18H12ClF2N5/c1-13-21(27-12-15(22)6-7-20(27)24-13)18-8-14(11-23)9-19(26-18)25-16-4-3-5-17(10-16)28-2;1-10-27-16-8-14(21)15(22)9-17(16)30(10)19-7-11(26)6-18(29-19)28-12-2-4-13(5-3-12)31-20(23,24)25;1-10-26-16-8-14(21)15(22)9-17(16)29(10)19-7-11(25)6-18(28-19)27-12-2-4-13(5-3-12)30-20(23)24;1-12-20(27-11-15(22)5-6-19(27)24-12)17-7-13(10-23)8-18(26-17)25-16-4-2-3-14(21)9-16;1-10-23-15-5-2-11(20)6-16(15)26(10)18-9-22-8-17(25-18)24-12-3-4-13(19)14(21)7-12/h3-10,12H,1-2H3,(H,25,26);2-9H,1H3,(H3,26,28,29);2-9,20H,1H3,(H3,25,27,28);2-9,11H,1H3,(H,25,26);2-9H,1H3,(H,24,25)
InChIKeyNCXGMMBQZTVTAX-UHFFFAOYSA-N
XLogP24.03
TPSA352.86 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds19
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001959.25
LogP ≤ 524.03
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Analyze N-(4-chloro-3-fluorophenyl)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine;2-(3-fluoroanilino)-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-(3-methoxyanilino)pyridine-4-carbonitrile with MolForge

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Related Compounds

2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile
CID 118095092
2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile
CID 118095153
2-[4-(difluoromethoxy)anilino]-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile
CID 122578353
N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-amine
CID 118095018
6-(2-cyclobutyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[2-(difluoromethyl)benzimidazol-1-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;6-[2-(difluoromethyl)-6-fluorobenzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[4-(trifluoromethyl)anilino]-6-(2,6,8-trimethylimidazo[1,2-a]pyrazin-3-yl)pyridine-4-carbonitrile;N-[4-(trifluoromethyl)phenyl]-6-(2,6,8-trimethylimidazo[1,2-a]pyrazin-3-yl)pyrazin-2-amine
CID 159072528
2-(4-methoxyanilino)-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile
CID 122578345
6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(3-methylphenyl)pyrazin-2-amine
CID 118094337
2-N-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine
CID 118101571
6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazin-2-amine;6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-phenylpyrazin-2-amine;6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;1-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-N-[4-(difluoromethoxy)phenyl]-2-methylimidazo[4,5-b]pyridin-6-amine
CID 159673621
6-(6-methoxy-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118095066
6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)pyridin-2-amine
CID 118094774
6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyrazin-2-amine
CID 118094365

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine;2-(3-fluoroanilino)-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-(3-methoxyanilino)pyridine-4-carbonitrile?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine;2-(3-fluoroanilino)-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-(3-methoxyanilino)pyridine-4-carbonitrile (CID 159744803) is N-(4-chloro-3-fluorophenyl)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine;2-(3-fluoroanilino)-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-(3-methoxyanilino)pyridine-4-carbonitrile.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine;2-(3-fluoroanilino)-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-(3-methoxyanilino)pyridine-4-carbonitrile?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine;2-(3-fluoroanilino)-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-(3-methoxyanilino)pyridine-4-carbonitrile is COc1cccc(Nc2cc(C#N)cc(-c3c(C)nc4ccc(F)cn34)n2)c1.Cc1nc2cc(F)c(F)cc2n1-c1cc(N)cc(Nc2ccc(OC(F)(F)F)cc2)n1.Cc1nc2cc(F)c(F)cc2n1-c1cc(N)cc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ccc(F)cc2n1-c1cncc(Nc2ccc(Cl)c(F)c2)n1.Cc1nc2ccc(F)cn2c1-c1cc(C#N)cc(Nc2cccc(F)c2)n1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine;2-(3-fluoroanilino)-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-(3-methoxyanilino)pyridine-4-carbonitrile?
The InChIKey is NCXGMMBQZTVTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O.C20H14F5N5O.C20H15F4N5O.C20H13F2N5.C18H12ClF2N5/c1-13-21(27-12-15(22)6-7-20(27)24-13)18-8-14(11-23)9-19(26-18)25-16-4-3-5-17(10-16)28-2;1-10-27-16-8-14(21)15(22)9-17(16)30(10)19-7-11(26)6-18(29-19)28-12-2-4-13(5-3-12)31-20(23,24)25;1-10-26-16-8-14(21)15(22)9-17(16)29(10)19-7-11(25)6-18(28-19)27-12-2-4-13(5-3-12)30-20(23)24;1-12-20(27-11-15(22)5-6-19(27)24-12)17-7-13(10-23)8-18(26-17)25-16-4-2-3-14(21)9-16;1-10-23-15-5-2-11(20)6-16(15)26(10)18-9-22-8-17(25-18)24-12-3-4-13(19)14(21)7-12/h3-10,12H,1-2H3,(H,25,26);2-9H,1H3,(H3,26,28,29);2-9,20H,1H3,(H3,25,27,28);2-9,11H,1H3,(H,25,26);2-9H,1H3,(H,24,25).
What are the key properties of N-(4-chloro-3-fluorophenyl)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine;2-(3-fluoroanilino)-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-(3-methoxyanilino)pyridine-4-carbonitrile?
N-(4-chloro-3-fluorophenyl)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine;2-(3-fluoroanilino)-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-(3-methoxyanilino)pyridine-4-carbonitrile has a molecular weight of 1959.25 g/mol, XLogP of 24.03, 19 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine;2-(3-fluoroanilino)-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-(3-methoxyanilino)pyridine-4-carbonitrile is sourced from PubChem (CID 159744803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).