C140H129Cl3F6N24O14 — CID 158950210
5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-(3-phenyloxetan-3-yl)ethanone;6-methoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;6-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;6-methoxy-N-(3-phenyloxetan-3-yl)-1H-indene-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;2-(3-phenyloxetan-3-yl)-1-[5-(trifluoromethyl)-1H-indol-2-yl]ethanone (PubChem CID 158950210) has the molecular formula C140H129Cl3F6N24O14 and a molecular weight of 2592.07 g/mol. Its IUPAC name is 5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-(3-phenyloxetan-3-yl)ethanone;6-methoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;6-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;6-methoxy-N-(3-phenyloxetan-3-yl)-1H-indene-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;2-(3-phenyloxetan-3-yl)-1-[5-(trifluoromethyl)-1H-indol-2-yl]ethanone.
| Compound Name | 5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-(3-phenyloxetan-3-yl)ethanone;6-methoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;6-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;6-methoxy-N-(3-phenyloxetan-3-yl)-1H-indene-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;2-(3-phenyloxetan-3-yl)-1-[5-(trifluoromethyl)-1H-indol-2-yl]ethanone |
|---|---|
| PubChem CID | 158950210 |
| Molecular Formula | C140H129Cl3F6N24O14 |
| Molecular Weight | 2592.07 g/mol |
| Exact Mass | 2588.91 |
| IUPAC Name | 5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;1-(5-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-(3-phenyloxetan-3-yl)ethanone;6-methoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;6-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;6-methoxy-N-(3-phenyloxetan-3-yl)-1H-indene-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;2-(3-phenyloxetan-3-yl)-1-[5-(trifluoromethyl)-1H-indol-2-yl]ethanone |
| SMILES | COc1ccc2c(c1)CC(C(=O)NC1(c3ccccc3)COC1)=C2.COc1ccc2cc(C(=O)NC(C)c3cnn(C)c3)[nH]c2c1.COc1ccc2cc(C(=O)NC3(c4cnn(C)c4)CC3)[nH]c2c1.Cn1cc(C2(NC(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)cn1.Cn1cc(C2(NC(=O)c3cc4cc(Cl)cnc4[nH]3)CC2)cn1.O=C(CC1(c2ccccc2)COC1)c1cc2cc(C(F)(F)F)ccc2[nH]1.O=C(CC1(c2ccccc2)COC1)c1cc2cc(Cl)cnc2[nH]1.O=C(NC1(c2ccccc2)CC1)c1cc2cc(Cl)cnc2[nH]1 |
| InChI | InChI=1S/C20H16F3NO2.C20H19NO3.C18H15ClN2O2.C17H14ClN3O.C17H15F3N4O.C17H18N4O2.C16H18N4O2.C15H14ClN5O/c21-20(22,23)15-6-7-16-13(8-15)9-17(24-16)18(25)10-19(11-26-12-19)14-4-2-1-3-5-14;1-23-18-8-7-14-9-16(10-15(14)11-18)19(22)21-20(12-24-13-20)17-5-3-2-4-6-17;19-14-6-12-7-15(21-17(12)20-9-14)16(22)8-18(10-23-11-18)13-4-2-1-3-5-13;18-13-8-11-9-14(20-15(11)19-10-13)16(22)21-17(6-7-17)12-4-2-1-3-5-12;1-24-9-12(8-21-24)16(4-5-16)23-15(25)14-7-10-6-11(17(18,19)20)2-3-13(10)22-14;1-21-10-12(9-18-21)17(5-6-17)20-16(22)15-7-11-3-4-13(23-2)8-14(11)19-15;1-10(12-8-17-20(2)9-12)18-16(21)15-6-11-4-5-13(22-3)7-14(11)19-15;1-21-8-10(6-18-21)15(2-3-15)20-14(22)12-5-9-4-11(16)7-17-13(9)19-12/h1-9,24H,10-12H2;2-9,11H,10,12-13H2,1H3,(H,21,22);1-7,9H,8,10-11H2,(H,20,21);1-5,8-10H,6-7H2,(H,19,20)(H,21,22);2-3,6-9,22H,4-5H2,1H3,(H,23,25);3-4,7-10,19H,5-6H2,1-2H3,(H,20,22);4-10,19H,1-3H3,(H,18,21);4-8H,2-3H2,1H3,(H,17,19)(H,20,22) |
| InChIKey | JLICIXYTXVMQIE-UHFFFAOYSA-N |
| XLogP | 25.24 |
| TPSA | 484.60 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 187 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2592.07 |
| LogP ≤ 5 | 25.24 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 25 |