4-chloro-6-(5-methoxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;3-hydroxy-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(5-methoxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C117H93ClF21N35O4+2 — CID 159269104

IUPAC4-chloro-6-(5-methoxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;3-hydroxy-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(5-methoxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCCc1nn2ccc(F)cc2c1-c1cc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.COc1ccn2nc(C)c(-c3cc(Cl)nc(Nc4ccc(C(F)(F)F)cc4)n3)c2c1.COc1ccn2nc(C)c(-c3cc(N)nc(Nc4ccc(C(F)(F)F)cc4)n3)c2c1.Cc1nc2ccc(F)cc2n1-c1cc(N)[n+](O)c(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccc2n1-c1cc(N)[n+](O)c(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nn2ccc(F)cc2c1-c1cc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H15ClF3N5O.C20H16F4N6.C20H17F3N6O.C19H14F4N6O.C19H14F4N6.C19H15F3N6O/c1-11-18(16-9-14(30-2)7-8-29(16)28-11)15-10-17(21)27-19(26-15)25-13-5-3-12(4-6-13)20(22,23)24;1-2-14-18(16-9-12(21)7-8-30(16)29-14)15-10-17(25)28-19(27-15)26-13-5-3-11(4-6-13)20(22,23)24;1-11-18(16-9-14(30-2)7-8-29(16)28-11)15-10-17(24)27-19(26-15)25-13-5-3-12(4-6-13)20(21,22)23;1-10-25-14-7-4-12(20)8-15(14)28(10)17-9-16(24)29(30)18(27-17)26-13-5-2-11(3-6-13)19(21,22)23;1-10-17(15-8-12(20)6-7-29(15)28-10)14-9-16(24)27-18(26-14)25-13-4-2-11(3-5-13)19(21,22)23;1-11-24-14-4-2-3-5-15(14)27(11)17-10-16(23)28(29)18(26-17)25-13-8-6-12(7-9-13)19(20,21)22/h3-10H,1-2H3,(H,25,26,27);3-10H,2H2,1H3,(H3,25,26,27,28);3-10H,1-2H3,(H3,24,25,26,27);2-9,30H,1H3,(H2,24,26,27);2-9H,1H3,(H3,24,25,26,27);2-10,29H,1H3,(H2,23,25,26)/p+2
InChIKeyKXMCDJZDWJRNBX-UHFFFAOYSA-P
MW2487.68 g/mol
LogP26.73
Rot. Bonds21

About 4-chloro-6-(5-methoxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;3-hydroxy-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(5-methoxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

4-chloro-6-(5-methoxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;3-hydroxy-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(5-methoxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 159269104) has the molecular formula C117H93ClF21N35O4+2 and a molecular weight of 2487.68 g/mol. Its IUPAC name is 4-chloro-6-(5-methoxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;3-hydroxy-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(5-methoxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-chloro-6-(5-methoxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;3-hydroxy-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(5-methoxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID159269104
Molecular FormulaC117H93ClF21N35O4+2
Molecular Weight2487.68 g/mol
Exact Mass2485.75
IUPAC Name4-chloro-6-(5-methoxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;3-hydroxy-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(5-methoxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCCc1nn2ccc(F)cc2c1-c1cc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.COc1ccn2nc(C)c(-c3cc(Cl)nc(Nc4ccc(C(F)(F)F)cc4)n3)c2c1.COc1ccn2nc(C)c(-c3cc(N)nc(Nc4ccc(C(F)(F)F)cc4)n3)c2c1.Cc1nc2ccc(F)cc2n1-c1cc(N)[n+](O)c(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccc2n1-c1cc(N)[n+](O)c(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nn2ccc(F)cc2c1-c1cc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H15ClF3N5O.C20H16F4N6.C20H17F3N6O.C19H14F4N6O.C19H14F4N6.C19H15F3N6O/c1-11-18(16-9-14(30-2)7-8-29(16)28-11)15-10-17(21)27-19(26-15)25-13-5-3-12(4-6-13)20(22,23)24;1-2-14-18(16-9-12(21)7-8-30(16)29-14)15-10-17(25)28-19(27-15)26-13-5-3-11(4-6-13)20(22,23)24;1-11-18(16-9-14(30-2)7-8-29(16)28-11)15-10-17(24)27-19(26-15)25-13-5-3-12(4-6-13)20(21,22)23;1-10-25-14-7-4-12(20)8-15(14)28(10)17-9-16(24)29(30)18(27-17)26-13-5-2-11(3-6-13)19(21,22)23;1-10-17(15-8-12(20)6-7-29(15)28-10)14-9-16(24)27-18(26-14)25-13-4-2-11(3-5-13)19(21,22)23;1-11-24-14-4-2-3-5-15(14)27(11)17-10-16(23)28(29)18(26-17)25-13-8-6-12(7-9-13)19(20,21)22/h3-10H,1-2H3,(H,25,26,27);3-10H,2H2,1H3,(H3,25,26,27,28);3-10H,1-2H3,(H3,24,25,26,27);2-9,30H,1H3,(H2,24,26,27);2-9H,1H3,(H3,24,25,26,27);2-10,29H,1H3,(H2,23,25,26)/p+2
InChIKeyKXMCDJZDWJRNBX-UHFFFAOYSA-P
XLogP26.73
TPSA502.70 Ų
H-Bond Donors13
H-Bond Acceptors37
Rotatable Bonds21
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002487.68
LogP ≤ 526.73
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-chloro-6-(5-methoxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;3-hydroxy-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(5-methoxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-difluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3,5-difluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 157068880
N-[4-(difluoromethoxy)phenyl]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;2-N-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,3-diamine;5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)benzonitrile;[5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)phenyl]methanol;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 157096462
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
N-[4-(difluoromethoxy)phenyl]-6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazin-2-amine;6-(2,4-dimethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;5-N-(4-methoxyphenyl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazine-2,5-diamine;6-(2-methyl-4-nitrobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 157207523
[2,4-Bis[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;[4-chloro-2-[methoxy(methyl)amino]-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol;(4-chloro-2-methoxy-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyrimidin-2-ylmethanol;(4-chlorophenyl)-[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)methanol;[4-chloro-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol
CID 157210714
2-chloro-7,7-difluoro-5,6-dihydrocyclopenta[b]pyridine;5-chloro-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)aniline;N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-(2-phenylethyl)imidazo[4,5-b]pyridin-7-amine;7-N-[2-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridine-5,7-diamine;phenylmethanamine
CID 157231197
4-chloro-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine;N-(4,4-difluorocyclohexyl)-3-iodo-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-pyridin-2-ylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-1-[(4-methoxyphenyl)methyl]-3-trimethylstannylpyrazolo[4,3-c]pyridin-4-amine;N-(4,4-difluorocyclohexyl)-3-pyridin-2-yl-1H-pyrrolo[3,4-c]pyridin-4-amine
CID 157288059
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
2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyrazin-2-amine;N-[(2,6-difluorophenyl)methyl]-5-[1-methyl-4-(trifluoromethyl)pyrrol-2-yl]pyridin-2-amine;N-[(2-fluorophenyl)methyl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine
CID 157296911
N-(3,5-difluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(2-fluorophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(4-fluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-methyl-4-pyridinyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-phenyl-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 157307599
4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-5-fluoropyrimidine-4,6-diamine;2-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
CID 157351487

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(5-methoxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;3-hydroxy-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(5-methoxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-chloro-6-(5-methoxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;3-hydroxy-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(5-methoxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 159269104) is 4-chloro-6-(5-methoxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;3-hydroxy-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(5-methoxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-chloro-6-(5-methoxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;3-hydroxy-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(5-methoxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-chloro-6-(5-methoxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;3-hydroxy-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(5-methoxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is CCc1nn2ccc(F)cc2c1-c1cc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.COc1ccn2nc(C)c(-c3cc(Cl)nc(Nc4ccc(C(F)(F)F)cc4)n3)c2c1.COc1ccn2nc(C)c(-c3cc(N)nc(Nc4ccc(C(F)(F)F)cc4)n3)c2c1.Cc1nc2ccc(F)cc2n1-c1cc(N)[n+](O)c(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccc2n1-c1cc(N)[n+](O)c(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nn2ccc(F)cc2c1-c1cc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 4-chloro-6-(5-methoxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;3-hydroxy-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(5-methoxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is KXMCDJZDWJRNBX-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H15ClF3N5O.C20H16F4N6.C20H17F3N6O.C19H14F4N6O.C19H14F4N6.C19H15F3N6O/c1-11-18(16-9-14(30-2)7-8-29(16)28-11)15-10-17(21)27-19(26-15)25-13-5-3-12(4-6-13)20(22,23)24;1-2-14-18(16-9-12(21)7-8-30(16)29-14)15-10-17(25)28-19(27-15)26-13-5-3-11(4-6-13)20(22,23)24;1-11-18(16-9-14(30-2)7-8-29(16)28-11)15-10-17(24)27-19(26-15)25-13-5-3-12(4-6-13)20(21,22)23;1-10-25-14-7-4-12(20)8-15(14)28(10)17-9-16(24)29(30)18(27-17)26-13-5-2-11(3-6-13)19(21,22)23;1-10-17(15-8-12(20)6-7-29(15)28-10)14-9-16(24)27-18(26-14)25-13-4-2-11(3-5-13)19(21,22)23;1-11-24-14-4-2-3-5-15(14)27(11)17-10-16(23)28(29)18(26-17)25-13-8-6-12(7-9-13)19(20,21)22/h3-10H,1-2H3,(H,25,26,27);3-10H,2H2,1H3,(H3,25,26,27,28);3-10H,1-2H3,(H3,24,25,26,27);2-9,30H,1H3,(H2,24,26,27);2-9H,1H3,(H3,24,25,26,27);2-10,29H,1H3,(H2,23,25,26)/p+2.
What are the key properties of 4-chloro-6-(5-methoxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;3-hydroxy-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(5-methoxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
4-chloro-6-(5-methoxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;3-hydroxy-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(5-methoxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 2487.68 g/mol, XLogP of 26.73, 21 rotatable bonds, 13 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(5-methoxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-3-hydroxy-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;3-hydroxy-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidin-3-ium-2,4-diamine;6-(5-methoxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 159269104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).