C105H102N28O7 — CID 158088813
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 158088813) has the molecular formula C105H102N28O7 and a molecular weight of 1868.16 g/mol. Its IUPAC name is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 158088813 |
| Molecular Formula | C105H102N28O7 |
| Molecular Weight | 1868.16 g/mol |
| Exact Mass | 1866.85 |
| IUPAC Name | 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | CN(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(CN5CCC5)nc4)c3c2)c1.O=C(Nc1ccc(CN2CCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC4)c3)cc12.O=C(Nc1ccc(CN2CCC2)nc1)c1n[nH]c2ccc(-c3cncc(NC(=O)C4CC4)c3)cc12.O=C(Nc1ccc(CN2CCC2)nc1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12 |
| InChI | InChI=1S/C28H24N6O2.C26H25N7O2.C26H27N7O.C25H26N8O2/c35-28(31-21-8-9-22(30-16-21)18-34-11-4-12-34)27-25-14-19(7-10-26(25)32-33-27)20-13-24(17-29-15-20)36-23-5-2-1-3-6-23;34-25(16-2-3-16)30-21-10-18(12-27-13-21)17-4-7-23-22(11-17)24(32-31-23)26(35)29-19-5-6-20(28-14-19)15-33-8-1-9-33;34-26(29-21-4-5-22(28-15-21)17-33-9-2-10-33)25-23-12-19(3-6-24(23)30-31-25)20-11-18(13-27-14-20)16-32-7-1-8-32;1-32(2)25(35)29-20-10-17(12-26-13-20)16-4-7-22-21(11-16)23(31-30-22)24(34)28-18-5-6-19(27-14-18)15-33-8-3-9-33/h1-3,5-10,13-17H,4,11-12,18H2,(H,31,35)(H,32,33);4-7,10-14,16H,1-3,8-9,15H2,(H,29,35)(H,30,34)(H,31,32);3-6,11-15H,1-2,7-10,16-17H2,(H,29,34)(H,30,31);4-7,10-14H,3,8-9,15H2,1-2H3,(H,28,34)(H,29,35)(H,30,31) |
| InChIKey | FNVNGLUVEZGMRG-UHFFFAOYSA-N |
| XLogP | 16.35 |
| TPSA | 421.11 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 140 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1868.16 |
| LogP ≤ 5 | 16.35 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 24 |