C101H112N24O4 — CID 158253058
N-[3-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-(dimethylamino)phenyl]-1H-indazole-3-carboxamide (PubChem CID 158253058) has the molecular formula C101H112N24O4 and a molecular weight of 1726.17 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-(dimethylamino)phenyl]-1H-indazole-3-carboxamide.
| Compound Name | N-[3-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-(dimethylamino)phenyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 158253058 |
| Molecular Formula | C101H112N24O4 |
| Molecular Weight | 1726.17 g/mol |
| Exact Mass | 1724.93 |
| IUPAC Name | N-[3-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-[(dimethylamino)methyl]phenyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[4-(dimethylamino)phenyl]-1H-indazole-3-carboxamide |
| SMILES | CN(C)Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN(C)C)c4)cc23)cc1.CN(C)Cc1cccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN(C)C)c4)cc23)c1.CN(C)Cc1cccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCC5)c4)cc23)c1.CN(C)Cc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(N(C)C)cc4)c3c2)c1 |
| InChI | InChI=1S/C27H30N6O.2C25H28N6O.C24H26N6O/c1-32(2)17-19-6-5-7-23(13-19)29-27(34)26-24-14-21(8-9-25(24)30-31-26)22-12-20(15-28-16-22)18-33-10-3-4-11-33;1-30(2)15-17-5-8-21(9-6-17)27-25(32)24-22-12-19(7-10-23(22)28-29-24)20-11-18(13-26-14-20)16-31(3)4;1-30(2)15-17-6-5-7-21(11-17)27-25(32)24-22-12-19(8-9-23(22)28-29-24)20-10-18(13-26-14-20)16-31(3)4;1-29(2)15-16-11-18(14-25-13-16)17-5-10-22-21(12-17)23(28-27-22)24(31)26-19-6-8-20(9-7-19)30(3)4/h5-9,12-16H,3-4,10-11,17-18H2,1-2H3,(H,29,34)(H,30,31);2*5-14H,15-16H2,1-4H3,(H,27,32)(H,28,29);5-14H,15H2,1-4H3,(H,26,31)(H,27,28) |
| InChIKey | GGYIGWCNKUIOBW-UHFFFAOYSA-N |
| XLogP | 16.54 |
| TPSA | 308.60 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 129 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1726.17 |
| LogP ≤ 5 | 16.54 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'} |
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