1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(3-ethoxyphenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(6-ethoxy-3-pyridinyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(3-fluorophenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-phenylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide

C133H139F4N37O7 — CID 167641479

IUPAC1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(3-ethoxyphenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(6-ethoxy-3-pyridinyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(3-fluorophenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-phenylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide
SMILESCCOc1ccc(N(C)C(=O)c2cnn(-c3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)c2)cn1.CCOc1cccc(N(C)C(=O)c2cnn(-c3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)c2)c1.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)c4ccc(C(F)(F)F)nc4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)c4cccc(F)c4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)c4ccccc4)cn3)n2)cc2c1CCN(C)C2
InChIInChI=1S/C28H31N7O2.C27H30N8O2.C26H25F3N8O.C26H26FN7O.C26H27N7O/c1-5-37-23-8-6-7-22(13-23)34(4)28(36)21-14-31-35(17-21)27-26(29)30-15-25(32-27)19-11-18(2)24-9-10-33(3)16-20(24)12-19;1-5-37-24-7-6-21(13-29-24)34(4)27(36)20-12-31-35(16-20)26-25(28)30-14-23(32-26)18-10-17(2)22-8-9-33(3)15-19(22)11-18;1-15-8-16(9-17-13-35(2)7-6-20(15)17)21-12-32-23(30)24(34-21)37-14-18(10-33-37)25(38)36(3)19-4-5-22(31-11-19)26(27,28)29;1-16-9-17(10-18-14-32(2)8-7-22(16)18)23-13-29-24(28)25(31-23)34-15-19(12-30-34)26(35)33(3)21-6-4-5-20(27)11-21;1-17-11-18(12-19-15-31(2)10-9-22(17)19)23-14-28-24(27)25(30-23)33-16-20(13-29-33)26(34)32(3)21-7-5-4-6-8-21/h6-8,11-15,17H,5,9-10,16H2,1-4H3,(H2,29,30);6-7,10-14,16H,5,8-9,15H2,1-4H3,(H2,28,30);4-5,8-12,14H,6-7,13H2,1-3H3,(H2,30,32);4-6,9-13,15H,7-8,14H2,1-3H3,(H2,28,29);4-8,11-14,16H,9-10,15H2,1-3H3,(H2,27,28)
InChIKeyPFKQTDRZSTUYEW-UHFFFAOYSA-N
MW2443.82 g/mol
LogP18.17
Rot. Bonds24

About 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(3-ethoxyphenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(6-ethoxy-3-pyridinyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(3-fluorophenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-phenylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide

1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(3-ethoxyphenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(6-ethoxy-3-pyridinyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(3-fluorophenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-phenylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide (PubChem CID 167641479) has the molecular formula C133H139F4N37O7 and a molecular weight of 2443.82 g/mol. Its IUPAC name is 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(3-ethoxyphenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(6-ethoxy-3-pyridinyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(3-fluorophenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-phenylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(3-ethoxyphenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(6-ethoxy-3-pyridinyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(3-fluorophenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-phenylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide
PubChem CID167641479
Molecular FormulaC133H139F4N37O7
Molecular Weight2443.82 g/mol
Exact Mass2442.16
IUPAC Name1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(3-ethoxyphenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(6-ethoxy-3-pyridinyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(3-fluorophenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-phenylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide
SMILESCCOc1ccc(N(C)C(=O)c2cnn(-c3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)c2)cn1.CCOc1cccc(N(C)C(=O)c2cnn(-c3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)c2)c1.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)c4ccc(C(F)(F)F)nc4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)c4cccc(F)c4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)c4ccccc4)cn3)n2)cc2c1CCN(C)C2
InChIInChI=1S/C28H31N7O2.C27H30N8O2.C26H25F3N8O.C26H26FN7O.C26H27N7O/c1-5-37-23-8-6-7-22(13-23)34(4)28(36)21-14-31-35(17-21)27-26(29)30-15-25(32-27)19-11-18(2)24-9-10-33(3)16-20(24)12-19;1-5-37-24-7-6-21(13-29-24)34(4)27(36)20-12-31-35(16-20)26-25(28)30-14-23(32-26)18-10-17(2)22-8-9-33(3)15-19(22)11-18;1-15-8-16(9-17-13-35(2)7-6-20(15)17)21-12-32-23(30)24(34-21)37-14-18(10-33-37)25(38)36(3)19-4-5-22(31-11-19)26(27,28)29;1-16-9-17(10-18-14-32(2)8-7-22(16)18)23-13-29-24(28)25(31-23)34-15-19(12-30-34)26(35)33(3)21-6-4-5-20(27)11-21;1-17-11-18(12-19-15-31(2)10-9-22(17)19)23-14-28-24(27)25(30-23)33-16-20(13-29-33)26(34)32(3)21-7-5-4-6-8-21/h6-8,11-15,17H,5,9-10,16H2,1-4H3,(H2,29,30);6-7,10-14,16H,5,8-9,15H2,1-4H3,(H2,28,30);4-5,8-12,14H,6-7,13H2,1-3H3,(H2,30,32);4-6,9-13,15H,7-8,14H2,1-3H3,(H2,28,29);4-8,11-14,16H,9-10,15H2,1-3H3,(H2,27,28)
InChIKeyPFKQTDRZSTUYEW-UHFFFAOYSA-N
XLogP18.17
TPSA510.09 Ų
H-Bond Donors5
H-Bond Acceptors39
Rotatable Bonds24
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002443.82
LogP ≤ 518.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1039

Analyze 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(3-ethoxyphenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(6-ethoxy-3-pyridinyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(3-fluorophenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-phenylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

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
[3-(1,1-difluoroethyl)-4-fluorophenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2,6-difluorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(1,5-dimethylpyrrol-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-fluoro-2-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(6-methoxy-2-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(6-methoxy-3-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-methylpyrimidin-5-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-pyridin-2-ylmethanone
CID 157724632
[2-(1,1-difluoroethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2,6-difluorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[4-fluoro-3-(2-fluoropropan-2-yl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-methoxypyrazin-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-(2-phenylmethoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone;(2-methylpyrimidin-5-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 157999380
(3-Fluoro-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methoxy-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-1-yl)-3-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158062369
CID 158102591
CID 158102591
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;methane
CID 158124834
1-[6-[5-methyl-2-[[2-(oxan-3-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[6-[5-methyl-2-[[2-(oxolan-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[6-[5-methyl-2-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[6-[5-methyl-2-[[2-(pyrazin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 158172230
N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[6-(1,1-difluoroethyl)-5-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)pyridine-2-carboxamide;N-[(2S)-4-[5-(1,1-difluoroethyl)pyrimidin-2-yl]butan-2-yl]-N-ethyl-4-methoxy-2-(triazol-2-yl)benzamide;N-ethyl-3-fluoro-N-[(2S)-4-(5-methyl-2-pyridinyl)butan-2-yl]-2-(triazol-2-yl)benzamide;methane
CID 158220183
2-[2-(difluoromethoxy)phenyl]-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;7-[[4-(1,4-dimethylpyrazol-3-yl)phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]purin-8-one
CID 158234807
(2-Fluoro-6-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(5-fluoro-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-methyl-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158546925
3-butoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-[3-(dimethylcarbamoyl)phenyl]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(2-phenylethoxy)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;4-phenyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-propoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;N-[[4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]benzamide
CID 158575830
[3-Fluoro-2-(triazol-2-yl)phenyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-1-yl)-3-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-1-yl)-3-pyridinyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 158749843

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(3-ethoxyphenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(6-ethoxy-3-pyridinyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(3-fluorophenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-phenylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(3-ethoxyphenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(6-ethoxy-3-pyridinyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(3-fluorophenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-phenylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide (CID 167641479) is 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(3-ethoxyphenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(6-ethoxy-3-pyridinyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(3-fluorophenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-phenylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(3-ethoxyphenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(6-ethoxy-3-pyridinyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(3-fluorophenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-phenylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(3-ethoxyphenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(6-ethoxy-3-pyridinyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(3-fluorophenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-phenylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide is CCOc1ccc(N(C)C(=O)c2cnn(-c3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)c2)cn1.CCOc1cccc(N(C)C(=O)c2cnn(-c3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)c2)c1.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)c4ccc(C(F)(F)F)nc4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)c4cccc(F)c4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)c4ccccc4)cn3)n2)cc2c1CCN(C)C2.
What is the InChIKey of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(3-ethoxyphenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(6-ethoxy-3-pyridinyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(3-fluorophenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-phenylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is PFKQTDRZSTUYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O2.C27H30N8O2.C26H25F3N8O.C26H26FN7O.C26H27N7O/c1-5-37-23-8-6-7-22(13-23)34(4)28(36)21-14-31-35(17-21)27-26(29)30-15-25(32-27)19-11-18(2)24-9-10-33(3)16-20(24)12-19;1-5-37-24-7-6-21(13-29-24)34(4)27(36)20-12-31-35(16-20)26-25(28)30-14-23(32-26)18-10-17(2)22-8-9-33(3)15-19(22)11-18;1-15-8-16(9-17-13-35(2)7-6-20(15)17)21-12-32-23(30)24(34-21)37-14-18(10-33-37)25(38)36(3)19-4-5-22(31-11-19)26(27,28)29;1-16-9-17(10-18-14-32(2)8-7-22(16)18)23-13-29-24(28)25(31-23)34-15-19(12-30-34)26(35)33(3)21-6-4-5-20(27)11-21;1-17-11-18(12-19-15-31(2)10-9-22(17)19)23-14-28-24(27)25(30-23)33-16-20(13-29-33)26(34)32(3)21-7-5-4-6-8-21/h6-8,11-15,17H,5,9-10,16H2,1-4H3,(H2,29,30);6-7,10-14,16H,5,8-9,15H2,1-4H3,(H2,28,30);4-5,8-12,14H,6-7,13H2,1-3H3,(H2,30,32);4-6,9-13,15H,7-8,14H2,1-3H3,(H2,28,29);4-8,11-14,16H,9-10,15H2,1-3H3,(H2,27,28).
What are the key properties of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(3-ethoxyphenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(6-ethoxy-3-pyridinyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(3-fluorophenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-phenylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide?
1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(3-ethoxyphenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(6-ethoxy-3-pyridinyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(3-fluorophenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-phenylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 2443.82 g/mol, XLogP of 18.17, 24 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(3-ethoxyphenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(6-ethoxy-3-pyridinyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(3-fluorophenyl)-N-methylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-phenylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 167641479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).