5-chloro-N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-chlorophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

C112H72Cl2F27N33O4 — CID 159010422

IUPAC5-chloro-N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-chlorophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ccnc(-c3c(C(F)(F)F)nc4cnccn34)n2)cc1.COc1ccc2nc(C(F)(F)F)c(-c3nccc(Nc4ccc(C(F)(F)F)cc4)n3)n2c1.COc1ccc2nc(C(F)(F)F)c(-c3nccc(Nc4ccc(OC(F)(F)F)cc4)n3)n2c1.Cc1ccc(Nc2nc(-c3c(C(F)(F)F)nc4ccccn34)ncc2Cl)cc1.FC(F)(F)c1ccc(Nc2ccnc(-c3c(C(F)(F)F)nc4cnccn34)n2)cc1.FC(F)(F)c1nc2cnccn2c1-c1nccc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H13F6N5O2.C20H13F6N5O.C19H13ClF3N5.C18H10F6N6.C18H13F3N6O.C17H10ClF3N6/c1-32-13-6-7-15-30-17(19(21,22)23)16(31(15)10-13)18-27-9-8-14(29-18)28-11-2-4-12(5-3-11)33-20(24,25)26;1-32-13-6-7-15-30-17(20(24,25)26)16(31(15)10-13)18-27-9-8-14(29-18)28-12-4-2-11(3-5-12)19(21,22)23;1-11-5-7-12(8-6-11)25-17-13(20)10-24-18(27-17)15-16(19(21,22)23)26-14-4-2-3-9-28(14)15;19-17(20,21)10-1-3-11(4-2-10)27-12-5-6-26-16(28-12)14-15(18(22,23)24)29-13-9-25-7-8-30(13)14;1-28-12-4-2-11(3-5-12)24-13-6-7-23-17(25-13)15-16(18(19,20)21)26-14-10-22-8-9-27(14)15;18-10-1-3-11(4-2-10)24-12-5-6-23-16(25-12)14-15(17(19,20)21)26-13-9-22-7-8-27(13)14/h2-10H,1H3,(H,27,28,29);2-10H,1H3,(H,27,28,29);2-10H,1H3,(H,24,25,27);1-9H,(H,26,27,28);2-10H,1H3,(H,23,24,25);1-9H,(H,23,24,25)
InChIKeyJSKNDUJTDFOVND-UHFFFAOYSA-N
MW2527.89 g/mol
LogP30.08
Rot. Bonds22

About 5-chloro-N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-chlorophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

5-chloro-N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-chlorophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 159010422) has the molecular formula C112H72Cl2F27N33O4 and a molecular weight of 2527.89 g/mol. Its IUPAC name is 5-chloro-N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-chlorophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-chlorophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID159010422
Molecular FormulaC112H72Cl2F27N33O4
Molecular Weight2527.89 g/mol
Exact Mass2525.54
IUPAC Name5-chloro-N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-chlorophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ccnc(-c3c(C(F)(F)F)nc4cnccn34)n2)cc1.COc1ccc2nc(C(F)(F)F)c(-c3nccc(Nc4ccc(C(F)(F)F)cc4)n3)n2c1.COc1ccc2nc(C(F)(F)F)c(-c3nccc(Nc4ccc(OC(F)(F)F)cc4)n3)n2c1.Cc1ccc(Nc2nc(-c3c(C(F)(F)F)nc4ccccn34)ncc2Cl)cc1.FC(F)(F)c1ccc(Nc2ccnc(-c3c(C(F)(F)F)nc4cnccn34)n2)cc1.FC(F)(F)c1nc2cnccn2c1-c1nccc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H13F6N5O2.C20H13F6N5O.C19H13ClF3N5.C18H10F6N6.C18H13F3N6O.C17H10ClF3N6/c1-32-13-6-7-15-30-17(19(21,22)23)16(31(15)10-13)18-27-9-8-14(29-18)28-11-2-4-12(5-3-11)33-20(24,25)26;1-32-13-6-7-15-30-17(20(24,25)26)16(31(15)10-13)18-27-9-8-14(29-18)28-12-4-2-11(3-5-12)19(21,22)23;1-11-5-7-12(8-6-11)25-17-13(20)10-24-18(27-17)15-16(19(21,22)23)26-14-4-2-3-9-28(14)15;19-17(20,21)10-1-3-11(4-2-10)27-12-5-6-26-16(28-12)14-15(18(22,23)24)29-13-9-25-7-8-30(13)14;1-28-12-4-2-11(3-5-12)24-13-6-7-23-17(25-13)15-16(18(19,20)21)26-14-10-22-8-9-27(14)15;18-10-1-3-11(4-2-10)24-12-5-6-23-16(25-12)14-15(17(19,20)21)26-13-9-22-7-8-27(13)14/h2-10H,1H3,(H,27,28,29);2-10H,1H3,(H,27,28,29);2-10H,1H3,(H,24,25,27);1-9H,(H,26,27,28);2-10H,1H3,(H,23,24,25);1-9H,(H,23,24,25)
InChIKeyJSKNDUJTDFOVND-UHFFFAOYSA-N
XLogP30.08
TPSA406.25 Ų
H-Bond Donors6
H-Bond Acceptors37
Rotatable Bonds22
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002527.89
LogP ≤ 530.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1037

Analyze 5-chloro-N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-chlorophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine with MolForge

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Related Compounds

3-[1-(3-chloro-4-methylphenyl)-2H-pyrimidin-2-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine;N-(4-ethoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
CID 90178116
3-[6-(4-chlorophenyl)pyrazin-2-yl]-6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine;6-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-phenylpyrazin-2-amine
CID 118094799
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
2-chloro-6-ethyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one;2,6-dichloro-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one;[2-(difluoromethoxy)-3-pyridinyl]boronic acid;2-[2-(difluoromethoxy)-3-pyridinyl]-6-ethyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one
CID 157078040
2-Isocyanato-1-methoxy-4-(trifluoromethyl)benzene;1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[3-[8-(2-pyridin-4-ylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]urea;3-[8-(2-pyridin-4-ylimidazol-1-yl)imidazo[1,2-a]pyrazin-6-yl]aniline
CID 157091313
N-(4-chlorophenyl)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;1-[6-[4-(difluoromethoxy)-3-fluoroanilino]pyrazin-2-yl]-N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylimidazo[4,5-b]pyridin-6-amine;6-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methoxyphenyl)pyrazin-2-amine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyrazin-2-amine
CID 157131555
4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-(4-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;5-fluoro-2-(4-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(2-methylimidazo[4,5-b]pyridin-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 157197643
6-(4-bromo-2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]pyrazin-2-amine;6-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(4-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 157202692
1-(4-chlorophenyl)-3-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-(4-methoxyphenyl)urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-(4-methylphenyl)urea;1-[2-fluoro-3-(2-morpholin-4-yl-4-pyridin-4-yl-1H-imidazol-5-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 157248577
2-N-[4-(difluoromethoxy)phenyl]-6-(4,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 157293772
N-(4-cyclopropylphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;N-(4-methoxyphenyl)-6-(2-methylindol-1-yl)pyrazin-2-amine;6-(2-methylimidazo[4,5-c]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-(4-methylphenyl)-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine;6-(2-methylsulfanylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine
CID 157399078
6-(5-chloro-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;6-(5-chloro-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(5-chloro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(difluoromethoxy)phenyl]pyrimidine-2,4-diamine;6-(5-chloro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 157437117

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-chlorophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-chlorophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 159010422) is 5-chloro-N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-chlorophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-chlorophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-chlorophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is COc1ccc(Nc2ccnc(-c3c(C(F)(F)F)nc4cnccn34)n2)cc1.COc1ccc2nc(C(F)(F)F)c(-c3nccc(Nc4ccc(C(F)(F)F)cc4)n3)n2c1.COc1ccc2nc(C(F)(F)F)c(-c3nccc(Nc4ccc(OC(F)(F)F)cc4)n3)n2c1.Cc1ccc(Nc2nc(-c3c(C(F)(F)F)nc4ccccn34)ncc2Cl)cc1.FC(F)(F)c1ccc(Nc2ccnc(-c3c(C(F)(F)F)nc4cnccn34)n2)cc1.FC(F)(F)c1nc2cnccn2c1-c1nccc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 5-chloro-N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-chlorophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is JSKNDUJTDFOVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F6N5O2.C20H13F6N5O.C19H13ClF3N5.C18H10F6N6.C18H13F3N6O.C17H10ClF3N6/c1-32-13-6-7-15-30-17(19(21,22)23)16(31(15)10-13)18-27-9-8-14(29-18)28-11-2-4-12(5-3-11)33-20(24,25)26;1-32-13-6-7-15-30-17(20(24,25)26)16(31(15)10-13)18-27-9-8-14(29-18)28-12-4-2-11(3-5-12)19(21,22)23;1-11-5-7-12(8-6-11)25-17-13(20)10-24-18(27-17)15-16(19(21,22)23)26-14-4-2-3-9-28(14)15;19-17(20,21)10-1-3-11(4-2-10)27-12-5-6-26-16(28-12)14-15(18(22,23)24)29-13-9-25-7-8-30(13)14;1-28-12-4-2-11(3-5-12)24-13-6-7-23-17(25-13)15-16(18(19,20)21)26-14-10-22-8-9-27(14)15;18-10-1-3-11(4-2-10)24-12-5-6-23-16(25-12)14-15(17(19,20)21)26-13-9-22-7-8-27(13)14/h2-10H,1H3,(H,27,28,29);2-10H,1H3,(H,27,28,29);2-10H,1H3,(H,24,25,27);1-9H,(H,26,27,28);2-10H,1H3,(H,23,24,25);1-9H,(H,23,24,25).
What are the key properties of 5-chloro-N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-chlorophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
5-chloro-N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-chlorophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 2527.89 g/mol, XLogP of 30.08, 22 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-chlorophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine;2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine;2-[6-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 159010422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).