1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(6-ethoxy-3-pyridinyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(4-methyloxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide

C130H147F3N38O8 — CID 167620875

IUPAC1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(6-ethoxy-3-pyridinyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(4-methyloxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
SMILESCCOc1ccc(CNC(=O)c2cnn(-c3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)c2)cn1.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NC(C)(C)C4CCOCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NC4(C)CCOCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCc4ccc(C(F)(F)F)nc4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCc4cccnc4)cn3)n2)cc2c1CCN(C)C2
InChIInChI=1S/C27H30N8O2.C27H35N7O2.C26H25F3N8O.C25H26N8O.C25H31N7O2/c1-4-37-24-6-5-18(11-29-24)12-31-27(36)21-13-32-35(16-21)26-25(28)30-14-23(33-26)19-9-17(2)22-7-8-34(3)15-20(22)10-19;1-17-11-18(12-19-15-33(4)8-5-22(17)19)23-14-29-24(28)25(31-23)34-16-20(13-30-34)26(35)32-27(2,3)21-6-9-36-10-7-21;1-15-7-17(8-18-13-36(2)6-5-20(15)18)21-12-32-23(30)24(35-21)37-14-19(11-34-37)25(38)33-10-16-3-4-22(31-9-16)26(27,28)29;1-16-8-18(9-19-14-32(2)7-5-21(16)19)22-13-28-23(26)24(31-22)33-15-20(12-30-33)25(34)29-11-17-4-3-6-27-10-17;1-16-10-17(11-18-14-31(3)7-4-20(16)18)21-13-27-22(26)23(29-21)32-15-19(12-28-32)24(33)30-25(2)5-8-34-9-6-25/h5-6,9-11,13-14,16H,4,7-8,12,15H2,1-3H3,(H2,28,30)(H,31,36);11-14,16,21H,5-10,15H2,1-4H3,(H2,28,29)(H,32,35);3-4,7-9,11-12,14H,5-6,10,13H2,1-2H3,(H2,30,32)(H,33,38);3-4,6,8-10,12-13,15H,5,7,11,14H2,1-2H3,(H2,26,28)(H,29,34);10-13,15H,4-9,14H2,1-3H3,(H2,26,27)(H,30,33)
InChIKeyMKNJJFRELWZRFF-UHFFFAOYSA-N
MW2426.86 g/mol
LogP14.67
Rot. Bonds26

About 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(6-ethoxy-3-pyridinyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(4-methyloxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide

1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(6-ethoxy-3-pyridinyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(4-methyloxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide (PubChem CID 167620875) has the molecular formula C130H147F3N38O8 and a molecular weight of 2426.86 g/mol. Its IUPAC name is 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(6-ethoxy-3-pyridinyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(4-methyloxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(6-ethoxy-3-pyridinyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(4-methyloxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
PubChem CID167620875
Molecular FormulaC130H147F3N38O8
Molecular Weight2426.86 g/mol
Exact Mass2425.22
IUPAC Name1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(6-ethoxy-3-pyridinyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(4-methyloxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
SMILESCCOc1ccc(CNC(=O)c2cnn(-c3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)c2)cn1.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NC(C)(C)C4CCOCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NC4(C)CCOCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCc4ccc(C(F)(F)F)nc4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCc4cccnc4)cn3)n2)cc2c1CCN(C)C2
InChIInChI=1S/C27H30N8O2.C27H35N7O2.C26H25F3N8O.C25H26N8O.C25H31N7O2/c1-4-37-24-6-5-18(11-29-24)12-31-27(36)21-13-32-35(16-21)26-25(28)30-14-23(33-26)19-9-17(2)22-7-8-34(3)15-20(22)10-19;1-17-11-18(12-19-15-33(4)8-5-22(17)19)23-14-29-24(28)25(31-23)34-16-20(13-30-34)26(35)32-27(2,3)21-6-9-36-10-7-21;1-15-7-17(8-18-13-36(2)6-5-20(15)18)21-12-32-23(30)24(35-21)37-14-19(11-34-37)25(38)33-10-16-3-4-22(31-9-16)26(27,28)29;1-16-8-18(9-19-14-32(2)7-5-21(16)19)22-13-28-23(26)24(31-22)33-15-20(12-30-33)25(34)29-11-17-4-3-6-27-10-17;1-16-10-17(11-18-14-31(3)7-4-20(16)18)21-13-27-22(26)23(29-21)32-15-19(12-28-32)24(33)30-25(2)5-8-34-9-6-25/h5-6,9-11,13-14,16H,4,7-8,12,15H2,1-3H3,(H2,28,30)(H,31,36);11-14,16,21H,5-10,15H2,1-4H3,(H2,28,29)(H,32,35);3-4,7-9,11-12,14H,5-6,10,13H2,1-2H3,(H2,30,32)(H,33,38);3-4,6,8-10,12-13,15H,5,7,11,14H2,1-2H3,(H2,26,28)(H,29,34);10-13,15H,4-9,14H2,1-3H3,(H2,26,27)(H,30,33)
InChIKeyMKNJJFRELWZRFF-UHFFFAOYSA-N
XLogP14.67
TPSA576.16 Ų
H-Bond Donors10
H-Bond Acceptors41
Rotatable Bonds26
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002426.86
LogP ≤ 514.67
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1041

Analyze 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(6-ethoxy-3-pyridinyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(4-methyloxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

6-(3-fluoropyrrolidin-1-yl)-N-(6-morpholin-4-yl-2-pyridinyl)-8-[[6-[[5-[2-(trifluoromethyl)phenyl]-1-[[6-[[5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]oxy]pyrazolo[1,5-a]pyrimidin-1-ium-3-carbonyl]amino]-2-pyridinyl]oxymethyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 124017564
7-[[4-[3-(1,1-difluoroethyl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-methylpropoxy)-3-pyridinyl]-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-yl-3-pyridinyl)-7-[[4-(triazol-2-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157288069
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
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
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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
1-(1-benzoylpiperidin-3-yl)-6-[(2-ethoxyphenyl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-(2-methylpropyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-benzoylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;1-(1-prop-1-en-2-ylpiperidin-3-yl)-6-[2-(trifluoromethyl)butyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
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1-[6-[2-[(2-cyclohexyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[6-[2-[(2-cyclopentyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]-5-methylphenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[6-[5-methyl-2-[[2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[6-[5-methyl-2-[[2-(pyridin-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
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1-benzyl-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;6-ethoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;3-(6-fluoro-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;4-morpholin-4-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;6-morpholin-4-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-1-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 159961068
(9S)-N-[4-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-5-[2-(trifluoromethyl)-4-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-[6-(2-hydroxyethoxy)-2-pyridinyl]-5-[2-(trifluoromethyl)-4-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-(1-methyl-6-oxopyrimidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide
CID 159984040
2-(2-cyclopropyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-ethylphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(1-methylindol-7-yl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(4-propan-2-ylpyrimidin-5-yl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7-[[4-[4-(trifluoromethyl)-4H-imidazol-1-ium-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;iodide
CID 160095222

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-[(6-ethoxy-3-pyridinyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(4-methyloxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]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-[(6-ethoxy-3-pyridinyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(4-methyloxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide (CID 167620875) is 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(6-ethoxy-3-pyridinyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(4-methyloxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]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-[(6-ethoxy-3-pyridinyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(4-methyloxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]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-[(6-ethoxy-3-pyridinyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(4-methyloxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide is CCOc1ccc(CNC(=O)c2cnn(-c3nc(-c4cc(C)c5c(c4)CN(C)CC5)cnc3N)c2)cn1.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NC(C)(C)C4CCOCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NC4(C)CCOCC4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCc4ccc(C(F)(F)F)nc4)cn3)n2)cc2c1CCN(C)C2.Cc1cc(-c2cnc(N)c(-n3cc(C(=O)NCc4cccnc4)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-[(6-ethoxy-3-pyridinyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(4-methyloxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide?
The InChIKey is MKNJJFRELWZRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O2.C27H35N7O2.C26H25F3N8O.C25H26N8O.C25H31N7O2/c1-4-37-24-6-5-18(11-29-24)12-31-27(36)21-13-32-35(16-21)26-25(28)30-14-23(33-26)19-9-17(2)22-7-8-34(3)15-20(22)10-19;1-17-11-18(12-19-15-33(4)8-5-22(17)19)23-14-29-24(28)25(31-23)34-16-20(13-30-34)26(35)32-27(2,3)21-6-9-36-10-7-21;1-15-7-17(8-18-13-36(2)6-5-20(15)18)21-12-32-23(30)24(35-21)37-14-19(11-34-37)25(38)33-10-16-3-4-22(31-9-16)26(27,28)29;1-16-8-18(9-19-14-32(2)7-5-21(16)19)22-13-28-23(26)24(31-22)33-15-20(12-30-33)25(34)29-11-17-4-3-6-27-10-17;1-16-10-17(11-18-14-31(3)7-4-20(16)18)21-13-27-22(26)23(29-21)32-15-19(12-28-32)24(33)30-25(2)5-8-34-9-6-25/h5-6,9-11,13-14,16H,4,7-8,12,15H2,1-3H3,(H2,28,30)(H,31,36);11-14,16,21H,5-10,15H2,1-4H3,(H2,28,29)(H,32,35);3-4,7-9,11-12,14H,5-6,10,13H2,1-2H3,(H2,30,32)(H,33,38);3-4,6,8-10,12-13,15H,5,7,11,14H2,1-2H3,(H2,26,28)(H,29,34);10-13,15H,4-9,14H2,1-3H3,(H2,26,27)(H,30,33).
What are the key properties of 1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(6-ethoxy-3-pyridinyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(4-methyloxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide?
1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[(6-ethoxy-3-pyridinyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(4-methyloxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide has a molecular weight of 2426.86 g/mol, XLogP of 14.67, 26 rotatable bonds, 10 hydrogen bond donors, and 41 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-[(6-ethoxy-3-pyridinyl)methyl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(4-methyloxan-4-yl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[2-(oxan-4-yl)propan-2-yl]pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide;1-[3-amino-6-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-yl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 167620875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).