2-methyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide;2-methyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3,4-dihydro-1H-isoquinoline-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzofuran-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzofuran-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzothiazole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzothiophene-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzothiophene-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzoxazole-5-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzoxazole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-7H-cyclopenta[c]pyridine-3-carboxamide;tris(N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1H-indene-5-carboxamide);N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1H-indole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
C336H265N67O19S3 — CID 157135005
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-methyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide;2-methyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3,4-dihydro-1H-isoquinoline-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzofuran-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzofuran-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzothiazole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzothiophene-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzothiophene-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzoxazole-5-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzoxazole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-7H-cyclopenta[c]pyridine-3-carboxamide;tris(N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1H-indene-5-carboxamide);N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1H-indole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCN1CCc2cc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccc2C1.CN1CCc2ccc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)cc2C1.Cn1cc(-c2ccc3cnc(NC(=O)c4cc5c(cn4)CC=C5)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5c(c4)C=CC5)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5c(c4)C=CC5)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5c(c4)C=CC5)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5c(c4)CCCC5)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5cc[nH]c5c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5ccoc5c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5ccsc5c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5ncoc5c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5ncsc5c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5ocnc5c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4cccc5ccoc45)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4cccc5ccsc45)cc3c2)cn1
InChIInChI=1S/2C24H23N5O.C24H22N4O.3C23H18N4O.2C22H17N5O.2C22H16N4O2.2C22H16N4OS.2C21H15N5O2.C21H15N5OS/c1-28-8-7-17-9-18(4-6-20(17)14-28)24(30)27-23-11-21-10-16(3-5-19(21)12-25-23)22-13-26-29(2)15-22;1-28-8-7-16-3-5-18(10-21(16)14-28)24(30)27-23-11-20-9-17(4-6-19(20)12-25-23)22-13-26-29(2)15-22;1-28-15-22(14-26-28)18-7-9-20-13-25-23(12-21(20)11-18)27-24(29)19-8-6-16-4-2-3-5-17(16)10-19;3*1-27-14-21(13-25-27)17-6-8-19-12-24-22(11-20(19)10-17)26-23(28)18-7-5-15-3-2-4-16(15)9-18;1-27-13-19(12-25-27)15-3-5-17-11-24-21(10-18(17)8-15)26-22(28)16-4-2-14-6-7-23-20(14)9-16;1-27-13-19(12-25-27)15-5-6-17-11-24-21(9-18(17)7-15)26-22(28)20-8-14-3-2-4-16(14)10-23-20;1-26-13-19(12-24-26)15-3-5-17-11-23-21(10-18(17)8-15)25-22(27)16-4-2-14-6-7-28-20(14)9-16;1-26-13-18(12-24-26)15-5-6-16-11-23-20(10-17(16)9-15)25-22(27)19-4-2-3-14-7-8-28-21(14)19;1-26-13-19(12-24-26)15-3-5-17-11-23-21(10-18(17)8-15)25-22(27)16-4-2-14-6-7-28-20(14)9-16;1-26-13-18(12-24-26)15-5-6-16-11-23-20(10-17(16)9-15)25-22(27)19-4-2-3-14-7-8-28-21(14)19;1-26-11-17(10-24-26)13-2-3-15-9-22-20(8-16(15)6-13)25-21(27)14-4-5-19-18(7-14)23-12-28-19;2*1-26-11-17(10-24-26)13-2-3-15-9-22-20(8-16(15)6-13)25-21(27)14-4-5-18-19(7-14)28-12-23-18/h2*3-6,9-13,15H,7-8,14H2,1-2H3,(H,25,27,30);6-15H,2-5H2,1H3,(H,25,27,29);3*2,4-14H,3H2,1H3,(H,24,26,28);2-13,23H,1H3,(H,24,26,28);2-3,5-13H,4H2,1H3,(H,24,26,28);4*2-13H,1H3,(H,23,25,27);3*2-12H,1H3,(H,22,25,27)
InChIKeyAJNDYHJWXNGIIP-UHFFFAOYSA-N
MW5641.47 g/mol
LogP66.14
Rot. Bonds45
About 2-methyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide;2-methyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3,4-dihydro-1H-isoquinoline-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzofuran-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzofuran-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzothiazole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzothiophene-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzothiophene-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzoxazole-5-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzoxazole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-7H-cyclopenta[c]pyridine-3-carboxamide;tris(N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1H-indene-5-carboxamide);N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1H-indole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
2-methyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide;2-methyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3,4-dihydro-1H-isoquinoline-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzofuran-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzofuran-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzothiazole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzothiophene-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzothiophene-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzoxazole-5-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzoxazole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-7H-cyclopenta[c]pyridine-3-carboxamide;tris(N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1H-indene-5-carboxamide);N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1H-indole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 157135005) has the molecular formula C336H265N67O19S3 and a molecular weight of 5641.47 g/mol. Its IUPAC name is 2-methyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide;2-methyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3,4-dihydro-1H-isoquinoline-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzofuran-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzofuran-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzothiazole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzothiophene-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzothiophene-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzoxazole-5-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzoxazole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-7H-cyclopenta[c]pyridine-3-carboxamide;tris(N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1H-indene-5-carboxamide);N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1H-indole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
Molecular Properties
| Compound Name | 2-methyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide;2-methyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3,4-dihydro-1H-isoquinoline-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzofuran-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzofuran-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzothiazole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzothiophene-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzothiophene-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzoxazole-5-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzoxazole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-7H-cyclopenta[c]pyridine-3-carboxamide;tris(N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1H-indene-5-carboxamide);N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1H-indole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide |
|---|---|
| PubChem CID | 157135005 |
| Molecular Formula | C336H265N67O19S3 |
| Molecular Weight | 5641.47 g/mol |
| Exact Mass | 5637.10 |
| IUPAC Name | 2-methyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide;2-methyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3,4-dihydro-1H-isoquinoline-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzofuran-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzofuran-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzothiazole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzothiophene-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzothiophene-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzoxazole-5-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzoxazole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-7H-cyclopenta[c]pyridine-3-carboxamide;tris(N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1H-indene-5-carboxamide);N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1H-indole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide |
| SMILES | CN1CCc2cc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccc2C1.CN1CCc2ccc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)cc2C1.Cn1cc(-c2ccc3cnc(NC(=O)c4cc5c(cn4)CC=C5)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5c(c4)C=CC5)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5c(c4)C=CC5)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5c(c4)C=CC5)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5c(c4)CCCC5)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5cc[nH]c5c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5ccoc5c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5ccsc5c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5ncoc5c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5ncsc5c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5ocnc5c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4cccc5ccoc45)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4cccc5ccsc45)cc3c2)cn1 |
| InChI | InChI=1S/2C24H23N5O.C24H22N4O.3C23H18N4O.2C22H17N5O.2C22H16N4O2.2C22H16N4OS.2C21H15N5O2.C21H15N5OS/c1-28-8-7-17-9-18(4-6-20(17)14-28)24(30)27-23-11-21-10-16(3-5-19(21)12-25-23)22-13-26-29(2)15-22;1-28-8-7-16-3-5-18(10-21(16)14-28)24(30)27-23-11-20-9-17(4-6-19(20)12-25-23)22-13-26-29(2)15-22;1-28-15-22(14-26-28)18-7-9-20-13-25-23(12-21(20)11-18)27-24(29)19-8-6-16-4-2-3-5-17(16)10-19;3*1-27-14-21(13-25-27)17-6-8-19-12-24-22(11-20(19)10-17)26-23(28)18-7-5-15-3-2-4-16(15)9-18;1-27-13-19(12-25-27)15-3-5-17-11-24-21(10-18(17)8-15)26-22(28)16-4-2-14-6-7-23-20(14)9-16;1-27-13-19(12-25-27)15-5-6-17-11-24-21(9-18(17)7-15)26-22(28)20-8-14-3-2-4-16(14)10-23-20;1-26-13-19(12-24-26)15-3-5-17-11-23-21(10-18(17)8-15)25-22(27)16-4-2-14-6-7-28-20(14)9-16;1-26-13-18(12-24-26)15-5-6-16-11-23-20(10-17(16)9-15)25-22(27)19-4-2-3-14-7-8-28-21(14)19;1-26-13-19(12-24-26)15-3-5-17-11-23-21(10-18(17)8-15)25-22(27)16-4-2-14-6-7-28-20(14)9-16;1-26-13-18(12-24-26)15-5-6-16-11-23-20(10-17(16)9-15)25-22(27)19-4-2-3-14-7-8-28-21(14)19;1-26-11-17(10-24-26)13-2-3-15-9-22-20(8-16(15)6-13)25-21(27)14-4-5-19-18(7-14)23-12-28-19;2*1-26-11-17(10-24-26)13-2-3-15-9-22-20(8-16(15)6-13)25-21(27)14-4-5-18-19(7-14)28-12-23-18/h2*3-6,9-13,15H,7-8,14H2,1-2H3,(H,25,27,30);6-15H,2-5H2,1H3,(H,25,27,29);3*2,4-14H,3H2,1H3,(H,24,26,28);2-13,23H,1H3,(H,24,26,28);2-3,5-13H,4H2,1H3,(H,24,26,28);4*2-13H,1H3,(H,23,25,27);3*2-12H,1H3,(H,22,25,27) |
| InChIKey | AJNDYHJWXNGIIP-UHFFFAOYSA-N |
| XLogP | 66.14 |
| TPSA | 1023.54 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 73 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 425 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5641.47 |
| LogP ≤ 5 | 66.14 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 73 |
Frequently Asked Questions
What is the IUPAC name of 2-methyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide;2-methyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3,4-dihydro-1H-isoquinoline-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzofuran-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzofuran-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzothiazole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzothiophene-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzothiophene-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzoxazole-5-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzoxazole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-7H-cyclopenta[c]pyridine-3-carboxamide;tris(N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1H-indene-5-carboxamide);N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1H-indole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 2-methyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide;2-methyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3,4-dihydro-1H-isoquinoline-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzofuran-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzofuran-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzothiazole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzothiophene-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzothiophene-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzoxazole-5-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzoxazole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-7H-cyclopenta[c]pyridine-3-carboxamide;tris(N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1H-indene-5-carboxamide);N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1H-indole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 157135005) is 2-methyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide;2-methyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3,4-dihydro-1H-isoquinoline-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzofuran-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzofuran-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzothiazole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzothiophene-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzothiophene-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzoxazole-5-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzoxazole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-7H-cyclopenta[c]pyridine-3-carboxamide;tris(N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1H-indene-5-carboxamide);N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1H-indole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 2-methyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide;2-methyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3,4-dihydro-1H-isoquinoline-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzofuran-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzofuran-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzothiazole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzothiophene-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzothiophene-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzoxazole-5-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzoxazole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-7H-cyclopenta[c]pyridine-3-carboxamide;tris(N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1H-indene-5-carboxamide);N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1H-indole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 2-methyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide;2-methyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3,4-dihydro-1H-isoquinoline-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzofuran-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzofuran-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzothiazole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzothiophene-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzothiophene-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzoxazole-5-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzoxazole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-7H-cyclopenta[c]pyridine-3-carboxamide;tris(N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1H-indene-5-carboxamide);N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1H-indole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CN1CCc2cc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccc2C1.CN1CCc2ccc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)cc2C1.Cn1cc(-c2ccc3cnc(NC(=O)c4cc5c(cn4)CC=C5)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5c(c4)C=CC5)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5c(c4)C=CC5)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5c(c4)C=CC5)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5c(c4)CCCC5)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5cc[nH]c5c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5ccoc5c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5ccsc5c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5ncoc5c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5ncsc5c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4ccc5ocnc5c4)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4cccc5ccoc45)cc3c2)cn1.Cn1cc(-c2ccc3cnc(NC(=O)c4cccc5ccsc45)cc3c2)cn1.
What is the InChIKey of 2-methyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide;2-methyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3,4-dihydro-1H-isoquinoline-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzofuran-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzofuran-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzothiazole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzothiophene-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzothiophene-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzoxazole-5-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzoxazole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-7H-cyclopenta[c]pyridine-3-carboxamide;tris(N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1H-indene-5-carboxamide);N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1H-indole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is AJNDYHJWXNGIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H23N5O.C24H22N4O.3C23H18N4O.2C22H17N5O.2C22H16N4O2.2C22H16N4OS.2C21H15N5O2.C21H15N5OS/c1-28-8-7-17-9-18(4-6-20(17)14-28)24(30)27-23-11-21-10-16(3-5-19(21)12-25-23)22-13-26-29(2)15-22;1-28-8-7-16-3-5-18(10-21(16)14-28)24(30)27-23-11-20-9-17(4-6-19(20)12-25-23)22-13-26-29(2)15-22;1-28-15-22(14-26-28)18-7-9-20-13-25-23(12-21(20)11-18)27-24(29)19-8-6-16-4-2-3-5-17(16)10-19;3*1-27-14-21(13-25-27)17-6-8-19-12-24-22(11-20(19)10-17)26-23(28)18-7-5-15-3-2-4-16(15)9-18;1-27-13-19(12-25-27)15-3-5-17-11-24-21(10-18(17)8-15)26-22(28)16-4-2-14-6-7-23-20(14)9-16;1-27-13-19(12-25-27)15-5-6-17-11-24-21(9-18(17)7-15)26-22(28)20-8-14-3-2-4-16(14)10-23-20;1-26-13-19(12-24-26)15-3-5-17-11-23-21(10-18(17)8-15)25-22(27)16-4-2-14-6-7-28-20(14)9-16;1-26-13-18(12-24-26)15-5-6-16-11-23-20(10-17(16)9-15)25-22(27)19-4-2-3-14-7-8-28-21(14)19;1-26-13-19(12-24-26)15-3-5-17-11-23-21(10-18(17)8-15)25-22(27)16-4-2-14-6-7-28-20(14)9-16;1-26-13-18(12-24-26)15-5-6-16-11-23-20(10-17(16)9-15)25-22(27)19-4-2-3-14-7-8-28-21(14)19;1-26-11-17(10-24-26)13-2-3-15-9-22-20(8-16(15)6-13)25-21(27)14-4-5-19-18(7-14)23-12-28-19;2*1-26-11-17(10-24-26)13-2-3-15-9-22-20(8-16(15)6-13)25-21(27)14-4-5-18-19(7-14)28-12-23-18/h2*3-6,9-13,15H,7-8,14H2,1-2H3,(H,25,27,30);6-15H,2-5H2,1H3,(H,25,27,29);3*2,4-14H,3H2,1H3,(H,24,26,28);2-13,23H,1H3,(H,24,26,28);2-3,5-13H,4H2,1H3,(H,24,26,28);4*2-13H,1H3,(H,23,25,27);3*2-12H,1H3,(H,22,25,27).
What are the key properties of 2-methyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide;2-methyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3,4-dihydro-1H-isoquinoline-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzofuran-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzofuran-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzothiazole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzothiophene-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzothiophene-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzoxazole-5-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzoxazole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-7H-cyclopenta[c]pyridine-3-carboxamide;tris(N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1H-indene-5-carboxamide);N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1H-indole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
2-methyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide;2-methyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3,4-dihydro-1H-isoquinoline-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzofuran-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzofuran-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzothiazole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzothiophene-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzothiophene-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzoxazole-5-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzoxazole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-7H-cyclopenta[c]pyridine-3-carboxamide;tris(N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1H-indene-5-carboxamide);N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1H-indole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 5641.47 g/mol, XLogP of 66.14, 45 rotatable bonds, 16 hydrogen bond donors, and 73 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide;2-methyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3,4-dihydro-1H-isoquinoline-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzofuran-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzofuran-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzothiazole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzothiophene-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-benzothiophene-7-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzoxazole-5-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzoxazole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-7H-cyclopenta[c]pyridine-3-carboxamide;tris(N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1H-indene-5-carboxamide);N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1H-indole-6-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 157135005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157135005 — identifiers, structure, computed properties (public domain)
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