1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dicyclopropylpyrazole-4-carboxamide;5-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazine-2-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-propan-2-ylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid

C130H148F3N41O7 — CID 167676491

IUPAC1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dicyclopropylpyrazole-4-carboxamide;5-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazine-2-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-propan-2-ylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid
SMILESCc1cc(-c2cnc(N)c(-c3cnc(C(=O)N(C)C)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)C(C)C)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)CC(F)(F)F)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C4CC4)C4CC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)O)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(N)=O)cn3)n2)cc2c1CCN(C)C2
InChIInChI=1S/C25H29N7O.C23H29N7O.C22H24F3N7O.C22H25N7O.C19H21N7O.C19H20N6O2/c1-15-9-16(10-17-13-30(2)8-7-21(15)17)22-12-27-23(26)24(29-22)31-14-18(11-28-31)25(33)32(19-3-4-19)20-5-6-20;1-14(2)29(5)23(31)18-10-26-30(13-18)22-21(24)25-11-20(27-22)16-8-15(3)19-6-7-28(4)12-17(19)9-16;1-13-6-14(7-15-10-30(2)5-4-17(13)15)18-9-27-19(26)20(29-18)32-11-16(8-28-32)21(33)31(3)12-22(23,24)25;1-13-7-14(8-15-12-29(4)6-5-16(13)15)17-9-26-21(23)20(27-17)18-10-25-19(11-24-18)22(30)28(2)3;1-11-5-12(6-13-9-25(2)4-3-15(11)13)16-8-22-17(20)19(24-16)26-10-14(7-23-26)18(21)27;1-11-5-12(6-13-9-24(2)4-3-15(11)13)16-8-21-17(20)18(23-16)25-10-14(7-22-25)19(26)27/h9-12,14,19-20H,3-8,13H2,1-2H3,(H2,26,27);8-11,13-14H,6-7,12H2,1-5H3,(H2,24,25);6-9,11H,4-5,10,12H2,1-3H3,(H2,26,27);7-11H,5-6,12H2,1-4H3,(H2,23,26);5-8,10H,3-4,9H2,1-2H3,(H2,20,22)(H2,21,27);5-8,10H,3-4,9H2,1-2H3,(H2,20,21)(H,26,27)
InChIKeyUWTZQEBRUSFMKT-UHFFFAOYSA-N
MW2453.89 g/mol
LogP13.90
Rot. Bonds22

About 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dicyclopropylpyrazole-4-carboxamide;5-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazine-2-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-propan-2-ylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid

1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dicyclopropylpyrazole-4-carboxamide;5-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazine-2-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-propan-2-ylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid (PubChem CID 167676491) has the molecular formula C130H148F3N41O7 and a molecular weight of 2453.89 g/mol. Its IUPAC name is 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dicyclopropylpyrazole-4-carboxamide;5-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazine-2-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-propan-2-ylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dicyclopropylpyrazole-4-carboxamide;5-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazine-2-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-propan-2-ylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid
PubChem CID167676491
Molecular FormulaC130H148F3N41O7
Molecular Weight2453.89 g/mol
Exact Mass2452.24
IUPAC Name1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dicyclopropylpyrazole-4-carboxamide;5-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazine-2-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-propan-2-ylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid
SMILESCc1cc(-c2cnc(N)c(-c3cnc(C(=O)N(C)C)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)C(C)C)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)CC(F)(F)F)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C4CC4)C4CC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)O)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(N)=O)cn3)n2)cc2c1CCN(C)C2
InChIInChI=1S/C25H29N7O.C23H29N7O.C22H24F3N7O.C22H25N7O.C19H21N7O.C19H20N6O2/c1-15-9-16(10-17-13-30(2)8-7-21(15)17)22-12-27-23(26)24(29-22)31-14-18(11-28-31)25(33)32(19-3-4-19)20-5-6-20;1-14(2)29(5)23(31)18-10-26-30(13-18)22-21(24)25-11-20(27-22)16-8-15(3)19-6-7-28(4)12-17(19)9-16;1-13-6-14(7-15-10-30(2)5-4-17(13)15)18-9-27-19(26)20(29-18)32-11-16(8-28-32)21(33)31(3)12-22(23,24)25;1-13-7-14(8-15-12-29(4)6-5-16(13)15)17-9-26-21(23)20(27-17)18-10-25-19(11-24-18)22(30)28(2)3;1-11-5-12(6-13-9-25(2)4-3-15(11)13)16-8-22-17(20)19(24-16)26-10-14(7-23-26)18(21)27;1-11-5-12(6-13-9-24(2)4-3-15(11)13)16-8-21-17(20)18(23-16)25-10-14(7-22-25)19(26)27/h9-12,14,19-20H,3-8,13H2,1-2H3,(H2,26,27);8-11,13-14H,6-7,12H2,1-5H3,(H2,24,25);6-9,11H,4-5,10,12H2,1-3H3,(H2,26,27);7-11H,5-6,12H2,1-4H3,(H2,23,26);5-8,10H,3-4,9H2,1-2H3,(H2,20,22)(H2,21,27);5-8,10H,3-4,9H2,1-2H3,(H2,20,21)(H,26,27)
InChIKeyUWTZQEBRUSFMKT-UHFFFAOYSA-N
XLogP13.90
TPSA606.75 Ų
H-Bond Donors8
H-Bond Acceptors42
Rotatable Bonds22
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002453.89
LogP ≤ 513.90
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1042

Analyze 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dicyclopropylpyrazole-4-carboxamide;5-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazine-2-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-propan-2-ylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid with MolForge

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Related Compounds

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CID 157210328
(6-Cyclopropylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((6-methylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158376602
2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-cyclopropyl-N-methylacetamide;2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;5-[3-methyl-4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;N-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
CID 161302768
2-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethyl-1,3-oxazole-5-carboxamide;5-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazine-2-carboxamide;2-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrimidine-5-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid
CID 167558147
[1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazol-4-yl]-(3,3-difluoropyrrolidin-1-yl)methanone;bis(5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]oxypyrazin-2-amine)
CID 167595203
2-[4-[[4-[[4-[5-acetyl-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]methyl]triazol-1-yl]pyrimidine-5-carboxylic acid
CID 177123102
2-[1-[[4-[[4-[5-acetyl-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]methyl]triazol-4-yl]pyrimidine-5-carboxylic acid
CID 177967827
7-[benzyl(methyl)amino]-N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cyclopropanamine;N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158706824
7-[benzyl(methyl)amino]-N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cyclopropanamine;N-cyclopropyl-5-[1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methane
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4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole
CID 159712341
4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one
CID 165085022
1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[1-(cyanomethyl)cyclohexyl]methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(cyanomethyl)cyclohexyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(cyanomethyl)cyclopentyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[1-(cyanomethyl)cyclopropyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(1-cyano-2-methylpropan-2-yl)pyrazole-4-carboxamide
CID 167533439

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,N-dicyclopropylpyrazole-4-carboxamide;5-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazine-2-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-propan-2-ylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dicyclopropylpyrazole-4-carboxamide;5-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazine-2-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-propan-2-ylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid (CID 167676491) is 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dicyclopropylpyrazole-4-carboxamide;5-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazine-2-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-propan-2-ylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dicyclopropylpyrazole-4-carboxamide;5-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazine-2-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-propan-2-ylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dicyclopropylpyrazole-4-carboxamide;5-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazine-2-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-propan-2-ylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid is Cc1cc(-c2cnc(N)c(-c3cnc(C(=O)N(C)C)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)C(C)C)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C)CC(F)(F)F)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)N(C4CC4)C4CC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)O)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(N)=O)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,N-dicyclopropylpyrazole-4-carboxamide;5-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazine-2-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-propan-2-ylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid?
The InChIKey is UWTZQEBRUSFMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O.C23H29N7O.C22H24F3N7O.C22H25N7O.C19H21N7O.C19H20N6O2/c1-15-9-16(10-17-13-30(2)8-7-21(15)17)22-12-27-23(26)24(29-22)31-14-18(11-28-31)25(33)32(19-3-4-19)20-5-6-20;1-14(2)29(5)23(31)18-10-26-30(13-18)22-21(24)25-11-20(27-22)16-8-15(3)19-6-7-28(4)12-17(19)9-16;1-13-6-14(7-15-10-30(2)5-4-17(13)15)18-9-27-19(26)20(29-18)32-11-16(8-28-32)21(33)31(3)12-22(23,24)25;1-13-7-14(8-15-12-29(4)6-5-16(13)15)17-9-26-21(23)20(27-17)18-10-25-19(11-24-18)22(30)28(2)3;1-11-5-12(6-13-9-25(2)4-3-15(11)13)16-8-22-17(20)19(24-16)26-10-14(7-23-26)18(21)27;1-11-5-12(6-13-9-24(2)4-3-15(11)13)16-8-21-17(20)18(23-16)25-10-14(7-22-25)19(26)27/h9-12,14,19-20H,3-8,13H2,1-2H3,(H2,26,27);8-11,13-14H,6-7,12H2,1-5H3,(H2,24,25);6-9,11H,4-5,10,12H2,1-3H3,(H2,26,27);7-11H,5-6,12H2,1-4H3,(H2,23,26);5-8,10H,3-4,9H2,1-2H3,(H2,20,22)(H2,21,27);5-8,10H,3-4,9H2,1-2H3,(H2,20,21)(H,26,27).
What are the key properties of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dicyclopropylpyrazole-4-carboxamide;5-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazine-2-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-propan-2-ylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid?
1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dicyclopropylpyrazole-4-carboxamide;5-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazine-2-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-propan-2-ylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid has a molecular weight of 2453.89 g/mol, XLogP of 13.90, 22 rotatable bonds, 8 hydrogen bond donors, and 42 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,N-dicyclopropylpyrazole-4-carboxamide;5-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N,N-dimethylpyrazine-2-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-propan-2-ylpyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 167676491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).