C199H205F2N57O13 — CID 158395904
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 158395904) has the molecular formula C199H205F2N57O13 and a molecular weight of 3641.21 g/mol. Its IUPAC name is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 158395904 |
| Molecular Formula | C199H205F2N57O13 |
| Molecular Weight | 3641.21 g/mol |
| Exact Mass | 3638.71 |
| IUPAC Name | 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | CN(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(N(C)C)nc4)c3c2)c1.CN(C)CCNc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)C5)c4)cc23)cn1.CN(C)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(O)CC5)c4)cc23)cn1.CN(C)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC5)c4)cc23)cn1.CN(C)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCCC5)c4)cc23)cn1.CN(C)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCOCC5)c4)cc23)cn1.CN(C)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(NC(=O)C5CC5)c4)cc23)cn1.CN(C)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(Oc5ccccc5)c4)cc23)cn1 |
| InChI | InChI=1S/C27H30F2N8O.C26H29N7O2.C26H22N6O2.C25H27N7O.C24H25N7O2.C24H23N7O2.C24H25N7O.C23H24N8O2/c1-36(2)10-8-31-24-6-4-21(15-32-24)33-26(38)25-22-12-19(3-5-23(22)34-35-25)20-11-18(13-30-14-20)16-37-9-7-27(28,29)17-37;1-32(2)24-6-4-20(15-28-24)29-26(35)25-22-12-18(3-5-23(22)30-31-25)19-11-17(13-27-14-19)16-33-9-7-21(34)8-10-33;1-32(2)24-11-9-19(15-28-24)29-26(33)25-22-13-17(8-10-23(22)30-31-25)18-12-21(16-27-14-18)34-20-6-4-3-5-7-20;1-31(2)23-9-7-19(15-27-23)28-25(33)24-21-13-17(6-8-22(21)29-30-24)18-12-20(16-26-14-18)32-10-4-3-5-11-32;1-30(2)22-6-4-18(14-26-22)27-24(32)23-20-12-16(3-5-21(20)28-29-23)17-11-19(15-25-13-17)31-7-9-33-10-8-31;1-31(2)21-8-6-17(13-26-21)27-24(33)22-19-10-15(5-7-20(19)29-30-22)16-9-18(12-25-11-16)28-23(32)14-3-4-14;1-30(2)22-7-5-19(14-26-22)27-24(32)23-20-11-17(4-6-21(20)28-29-23)18-10-16(12-25-13-18)15-31-8-3-9-31;1-30(2)20-8-6-16(13-25-20)26-22(32)21-18-10-14(5-7-19(18)28-29-21)15-9-17(12-24-11-15)27-23(33)31(3)4/h3-6,11-15H,7-10,16-17H2,1-2H3,(H,31,32)(H,33,38)(H,34,35);3-6,11-15,21,34H,7-10,16H2,1-2H3,(H,29,35)(H,30,31);3-16H,1-2H3,(H,29,33)(H,30,31);6-9,12-16H,3-5,10-11H2,1-2H3,(H,28,33)(H,29,30);3-6,11-15H,7-10H2,1-2H3,(H,27,32)(H,28,29);5-14H,3-4H2,1-2H3,(H,27,33)(H,28,32)(H,29,30);4-7,10-14H,3,8-9,15H2,1-2H3,(H,27,32)(H,28,29);5-13H,1-4H3,(H,26,32)(H,27,33)(H,28,29) |
| InChIKey | GXNRUOQHBLLBHM-UHFFFAOYSA-N |
| XLogP | 30.68 |
| TPSA | 822.76 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 51 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 271 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3641.21 |
| LogP ≤ 5 | 30.68 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 51 |