About (1R,2R,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-cyclohexyl-6-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
(1R,2R,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-cyclohexyl-6-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 158333162) has the molecular formula C193H187FN42O7
and a molecular weight of 3225.90 g/mol. Its IUPAC name is (1R,2R,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-cyclohexyl-6-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
Frequently Asked Questions
What is the IUPAC name of (1R,2R,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-cyclohexyl-6-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of (1R,2R,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-cyclohexyl-6-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 158333162) is (1R,2R,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-cyclohexyl-6-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1R,2R,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-cyclohexyl-6-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for (1R,2R,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-cyclohexyl-6-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is Cc1c(N)cccc1-c1cc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)cc2c1.Cc1cccc(-c2ccccc2)c1-c1cc(N)c2cnc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)cc2c1.Cc1cccc(-c2ccccc2)c1-c1cc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)cc2c1.Cc1cccc(C2CCCCC2)c1-c1cc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)cc2c1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3[C@H](C)[C@H]3c3cnn(C)c3)ncc2c(N)c1F.Cc1ccnc(-c2ccnn2C)c1-c1cc(N)c2cnc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)cc2c1.Cc1ccnc(-c2ccnn2C)c1-c1cc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)cc2c1.
What is the InChIKey of (1R,2R,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-cyclohexyl-6-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is GQGHGUADAFRJJC-GYGGTFMDSA-N. The full InChI is InChI=1S/C30H33N5O.2C30H27N5O.2C27H26N8O.C25H24FN5O.C24H24N6O/c3*1-18-7-6-10-23(19-8-4-3-5-9-19)29(18)21-11-20-13-28(32-16-26(20)27(31)12-21)34-30(36)25-14-24(25)22-15-33-35(2)17-22;2*1-15-4-6-29-26(23-5-7-31-35(23)3)25(15)17-8-16-10-24(30-13-21(16)22(28)9-17)33-27(36)20-11-19(20)18-12-32-34(2)14-18;1-13-6-4-5-7-17(13)18-8-15-9-20(28-11-19(15)24(27)23(18)26)30-25(32)22-14(2)21(22)16-10-29-31(3)12-16;1-13-17(4-3-5-21(13)25)14-6-15-8-23(27-11-20(15)22(26)7-14)29-24(31)19-9-18(19)16-10-28-30(2)12-16/h6-7,10-13,15-17,19,24-25H,3-5,8-9,14,31H2,1-2H3,(H,32,34,36);2*3-13,15-17,24-25H,14,31H2,1-2H3,(H,32,34,36);2*4-10,12-14,19-20H,11,28H2,1-3H3,(H,30,33,36);4-12,14,21-22H,27H2,1-3H3,(H,28,30,32);3-8,10-12,18-19H,9,25-26H2,1-2H3,(H,27,29,31)/t3*24-,25+;2*19-,20+;14-,21+,22-;18-,19+/m1101011/s1.
What are the key properties of (1R,2R,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-cyclohexyl-6-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
(1R,2R,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-cyclohexyl-6-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 3225.90 g/mol, XLogP of 34.82, 33 rotatable bonds, 15 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R)-N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(3-amino-2-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-cyclohexyl-6-methylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-2-(2-methylpyrazol-3-yl)-3-pyridinyl]isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methyl-6-phenylphenyl)isoquinolin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 158333162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).