C107H104N30O8S2 — CID 157383280
1-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide (PubChem CID 157383280) has the molecular formula C107H104N30O8S2 and a molecular weight of 2002.34 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide.
| Compound Name | 1-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide |
|---|---|
| PubChem CID | 157383280 |
| Molecular Formula | C107H104N30O8S2 |
| Molecular Weight | 2002.34 g/mol |
| Exact Mass | 2000.81 |
| IUPAC Name | 1-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide;1-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrazole-3-carboxamide |
| SMILES | COc1ccc2c(c1)C=C(n1ccc(C(=O)Nc3cnccc3N3CCNCC3)n1)C2.O=C(Nc1cnccc1N1CCNCC1)c1ccn(-c2cc3ccccc3o2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccn(-c2cc3ccccc3s2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccn(-c2ccc3occc3c2)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccn(-c2csc3ccccc23)n1 |
| InChI | InChI=1S/C23H24N6O2.2C21H20N6O2.2C21H20N6OS/c1-31-19-3-2-16-12-18(13-17(16)14-19)29-9-5-20(27-29)23(30)26-21-15-25-6-4-22(21)28-10-7-24-8-11-28;28-21(24-18-14-23-6-3-19(18)26-10-7-22-8-11-26)17-4-9-27(25-17)16-1-2-20-15(13-16)5-12-29-20;28-21(24-17-14-23-7-5-18(17)26-11-8-22-9-12-26)16-6-10-27(25-16)20-13-15-3-1-2-4-19(15)29-20;28-21(24-17-13-23-7-5-18(17)26-11-8-22-9-12-26)16-6-10-27(25-16)19-14-29-20-4-2-1-3-15(19)20;28-21(24-17-14-23-7-5-18(17)26-11-8-22-9-12-26)16-6-10-27(25-16)20-13-15-3-1-2-4-19(15)29-20/h2-6,9,13-15,24H,7-8,10-12H2,1H3,(H,26,30);1-6,9,12-14,22H,7-8,10-11H2,(H,24,28);3*1-7,10,13-14,22H,8-9,11-12H2,(H,24,28) |
| InChIKey | BLDFGYJRDMGSPH-UHFFFAOYSA-N |
| XLogP | 14.14 |
| TPSA | 410.91 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 147 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2002.34 |
| LogP ≤ 5 | 14.14 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 35 |