C119H136N24O5 — CID 160681603
N-[4-[(dimethylamino)methyl]phenyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-(morpholin-4-ylmethyl)phenyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-(piperidin-1-ylmethyl)phenyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide (PubChem CID 160681603) has the molecular formula C119H136N24O5 and a molecular weight of 1982.56 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]phenyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-(morpholin-4-ylmethyl)phenyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-(piperidin-1-ylmethyl)phenyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide.
| Compound Name | N-[4-[(dimethylamino)methyl]phenyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-(morpholin-4-ylmethyl)phenyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-(piperidin-1-ylmethyl)phenyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 160681603 |
| Molecular Formula | C119H136N24O5 |
| Molecular Weight | 1982.56 g/mol |
| Exact Mass | 1981.11 |
| IUPAC Name | N-[4-[(dimethylamino)methyl]phenyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-(morpholin-4-ylmethyl)phenyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-(piperidin-1-ylmethyl)phenyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide |
| SMILES | CN(C)Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cc1.O=C(Nc1ccc(CN2CCCC2)cc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.O=C(Nc1ccc(CN2CCCCC2)cc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.O=C(Nc1ccc(CN2CCOCC2)cc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12 |
| InChI | InChI=1S/C31H36N6O.C30H34N6O2.C30H34N6O.C28H32N6O/c38-31(33-27-10-7-23(8-11-27)21-36-13-3-1-4-14-36)30-28-18-25(9-12-29(28)34-35-30)26-17-24(19-32-20-26)22-37-15-5-2-6-16-37;37-30(32-26-7-4-22(5-8-26)20-36-12-14-38-15-13-36)29-27-17-24(6-9-28(27)33-34-29)25-16-23(18-31-19-25)21-35-10-2-1-3-11-35;37-30(32-26-9-6-22(7-10-26)20-35-14-4-5-15-35)29-27-17-24(8-11-28(27)33-34-29)25-16-23(18-31-19-25)21-36-12-2-1-3-13-36;1-33(2)18-20-6-9-24(10-7-20)30-28(35)27-25-15-22(8-11-26(25)31-32-27)23-14-21(16-29-17-23)19-34-12-4-3-5-13-34/h7-12,17-20H,1-6,13-16,21-22H2,(H,33,38)(H,34,35);4-9,16-19H,1-3,10-15,20-21H2,(H,32,37)(H,33,34);6-11,16-19H,1-5,12-15,20-21H2,(H,32,37)(H,33,34);6-11,14-17H,3-5,12-13,18-19H2,1-2H3,(H,30,35)(H,31,32) |
| InChIKey | ROFINEOSPVIISA-UHFFFAOYSA-N |
| XLogP | 20.93 |
| TPSA | 317.83 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 148 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1982.56 |
| LogP ≤ 5 | 20.93 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 21 |