C113H107N23O9 — CID 157049438
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[2-(cyclopropanecarbonylamino)phenyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 157049438) has the molecular formula C113H107N23O9 and a molecular weight of 1931.25 g/mol. Its IUPAC name is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[2-(cyclopropanecarbonylamino)phenyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[2-(cyclopropanecarbonylamino)phenyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 157049438 |
| Molecular Formula | C113H107N23O9 |
| Molecular Weight | 1931.25 g/mol |
| Exact Mass | 1929.86 |
| IUPAC Name | 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[2-(cyclopropanecarbonylamino)phenyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
| SMILES | O=C(Nc1ccccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cncc(CN4CCC4)c3)cc12.O=C(Nc1ccccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12.O=C(Nc1ccccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.O=C(Nc1ccccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12 |
| InChI | InChI=1S/C29H30N6O2.C29H23N5O3.C28H28N6O2.C27H26N6O2/c36-28(20-8-9-20)31-25-6-2-3-7-26(25)32-29(37)27-23-15-21(10-11-24(23)33-34-27)22-14-19(16-30-17-22)18-35-12-4-1-5-13-35;35-28(18-10-11-18)31-25-8-4-5-9-26(25)32-29(36)27-23-15-19(12-13-24(23)33-34-27)20-14-22(17-30-16-20)37-21-6-2-1-3-7-21;35-27(19-7-8-19)30-24-5-1-2-6-25(24)31-28(36)26-22-14-20(9-10-23(22)32-33-26)21-13-18(15-29-16-21)17-34-11-3-4-12-34;34-26(18-6-7-18)29-23-4-1-2-5-24(23)30-27(35)25-21-13-19(8-9-22(21)31-32-25)20-12-17(14-28-15-20)16-33-10-3-11-33/h2-3,6-7,10-11,14-17,20H,1,4-5,8-9,12-13,18H2,(H,31,36)(H,32,37)(H,33,34);1-9,12-18H,10-11H2,(H,31,35)(H,32,36)(H,33,34);1-2,5-6,9-10,13-16,19H,3-4,7-8,11-12,17H2,(H,30,35)(H,31,36)(H,32,33);1-2,4-5,8-9,12-15,18H,3,6-7,10-11,16H2,(H,29,34)(H,30,35)(H,31,32) |
| InChIKey | AAAHULUZMHATNX-UHFFFAOYSA-N |
| XLogP | 20.48 |
| TPSA | 418.03 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 145 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1931.25 |
| LogP ≤ 5 | 20.48 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 20 |