C104H121N33O6 — CID 158182429
5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 158182429) has the molecular formula C104H121N33O6 and a molecular weight of 1929.34 g/mol. Its IUPAC name is 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 158182429 |
| Molecular Formula | C104H121N33O6 |
| Molecular Weight | 1929.34 g/mol |
| Exact Mass | 1928.02 |
| IUPAC Name | 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
| SMILES | CN(C)CCNc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN(C)C)c4)cc23)cn1.CN(C)CCNc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1.CN(C)CCNc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(NC(=O)C5CC5)c4)cc23)cn1.CN(C)CCNc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(NC(=O)N(C)C)c4)cc23)cn1 |
| InChI | InChI=1S/C28H34N8O.C26H28N8O2.C25H29N9O2.C25H30N8O/c1-35(2)13-10-30-26-9-7-23(18-31-26)32-28(37)27-24-15-21(6-8-25(24)33-34-27)22-14-20(16-29-17-22)19-36-11-4-3-5-12-36;1-34(2)10-9-28-23-8-6-19(15-29-23)30-26(36)24-21-12-17(5-7-22(21)32-33-24)18-11-20(14-27-13-18)31-25(35)16-3-4-16;1-33(2)10-9-27-22-8-6-18(15-28-22)29-24(35)23-20-12-16(5-7-21(20)31-32-23)17-11-19(14-26-13-17)30-25(36)34(3)4;1-32(2)10-9-27-23-8-6-20(15-28-23)29-25(34)24-21-12-18(5-7-22(21)30-31-24)19-11-17(13-26-14-19)16-33(3)4/h6-9,14-18H,3-5,10-13,19H2,1-2H3,(H,30,31)(H,32,37)(H,33,34);5-8,11-16H,3-4,9-10H2,1-2H3,(H,28,29)(H,30,36)(H,31,35)(H,32,33);5-8,11-15H,9-10H2,1-4H3,(H,27,28)(H,29,35)(H,30,36)(H,31,32);5-8,11-15H,9-10,16H2,1-4H3,(H,27,28)(H,29,34)(H,30,31) |
| InChIKey | FYTINSKXQBPKAH-UHFFFAOYSA-N |
| XLogP | 14.47 |
| TPSA | 463.24 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 143 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1929.34 |
| LogP ≤ 5 | 14.47 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 28 |