C120H129N23O10 — CID 158393432
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(3-ethylpentanoyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-ethylpentanoyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-ethylpentanoyl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-ethylpentanoyl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 158393432) has the molecular formula C120H129N23O10 and a molecular weight of 2053.50 g/mol. Its IUPAC name is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(3-ethylpentanoyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-ethylpentanoyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-ethylpentanoyl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-ethylpentanoyl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(3-ethylpentanoyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-ethylpentanoyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-ethylpentanoyl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-ethylpentanoyl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 158393432 |
| Molecular Formula | C120H129N23O10 |
| Molecular Weight | 2053.50 g/mol |
| Exact Mass | 2052.03 |
| IUPAC Name | 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(3-ethylpentanoyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-ethylpentanoyl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-ethylpentanoyl)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(3-ethylpentanoyl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
| SMILES | CCC(CC)CC(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC5)c4)cc23)cn1.CCC(CC)CC(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCC5)c4)cc23)cn1.CCC(CC)CC(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCOCC5)c4)cc23)cn1.CCC(CC)CC(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(Oc5ccccc5)c4)cc23)cn1 |
| InChI | InChI=1S/C31H29N5O3.C30H34N6O3.C30H34N6O2.C29H32N6O2/c1-3-20(4-2)14-29(37)28-13-11-23(18-33-28)34-31(38)30-26-16-21(10-12-27(26)35-36-30)22-15-25(19-32-17-22)39-24-8-6-5-7-9-24;1-3-20(4-2)14-28(37)27-8-6-24(18-32-27)33-30(38)29-25-15-22(5-7-26(25)34-35-29)23-13-21(16-31-17-23)19-36-9-11-39-12-10-36;1-3-20(4-2)14-28(37)27-10-8-24(18-32-27)33-30(38)29-25-15-22(7-9-26(25)34-35-29)23-13-21(16-31-17-23)19-36-11-5-6-12-36;1-3-19(4-2)13-27(36)26-9-7-23(17-31-26)32-29(37)28-24-14-21(6-8-25(24)33-34-28)22-12-20(15-30-16-22)18-35-10-5-11-35/h5-13,15-20H,3-4,14H2,1-2H3,(H,34,38)(H,35,36);5-8,13,15-18,20H,3-4,9-12,14,19H2,1-2H3,(H,33,38)(H,34,35);7-10,13,15-18,20H,3-6,11-12,14,19H2,1-2H3,(H,33,38)(H,34,35);6-9,12,14-17,19H,3-5,10-11,13,18H2,1-2H3,(H,32,37)(H,33,34) |
| InChIKey | GXGDFOCJVMMOTD-UHFFFAOYSA-N |
| XLogP | 23.55 |
| TPSA | 430.70 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 153 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2053.50 |
| LogP ≤ 5 | 23.55 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 25 |