C103H136N28O14 — CID 159128533
N-[(2R)-butan-2-yl]-6-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-2-methoxypropoxy]pyrimidine-4-carboxamide;2-(cyclopropylmethoxy)-N-[2-(dimethylamino)ethyl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide;N-[2-(dimethylamino)ethyl]-2-[(1-ethynylcyclopropyl)methoxy]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-4-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-6-[[(2R)-oxolan-2-yl]methoxy]-1,3,5-triazine-2-carboxamide (PubChem CID 159128533) has the molecular formula C103H136N28O14 and a molecular weight of 1990.40 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-6-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-2-methoxypropoxy]pyrimidine-4-carboxamide;2-(cyclopropylmethoxy)-N-[2-(dimethylamino)ethyl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide;N-[2-(dimethylamino)ethyl]-2-[(1-ethynylcyclopropyl)methoxy]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-4-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-6-[[(2R)-oxolan-2-yl]methoxy]-1,3,5-triazine-2-carboxamide.
| Compound Name | N-[(2R)-butan-2-yl]-6-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-2-methoxypropoxy]pyrimidine-4-carboxamide;2-(cyclopropylmethoxy)-N-[2-(dimethylamino)ethyl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide;N-[2-(dimethylamino)ethyl]-2-[(1-ethynylcyclopropyl)methoxy]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-4-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-6-[[(2R)-oxolan-2-yl]methoxy]-1,3,5-triazine-2-carboxamide |
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| PubChem CID | 159128533 |
| Molecular Formula | C103H136N28O14 |
| Molecular Weight | 1990.40 g/mol |
| Exact Mass | 1989.08 |
| IUPAC Name | N-[(2R)-butan-2-yl]-6-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-2-methoxypropoxy]pyrimidine-4-carboxamide;2-(cyclopropylmethoxy)-N-[2-(dimethylamino)ethyl]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide;N-[2-(dimethylamino)ethyl]-2-[(1-ethynylcyclopropyl)methoxy]-6-[4-(4-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]pyrimidine-4-carboxamide;N-[(2R)-1-hydroxypropan-2-yl]-4-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-6-[[(2R)-oxolan-2-yl]methoxy]-1,3,5-triazine-2-carboxamide |
| SMILES | C#CC1(COc2nc(C(=O)NCCN(C)C)cc(N3CCC(c4[nH]nc5nccc(OC)c45)CC3)n2)CC1.CC[C@@H](C)NC(=O)c1cc(N2CCC(C3=CCc4ncccc43)CC2)nc(OC[C@@H](C)OC)n1.COc1ccnc2[nH]cc(C3CCN(c4nc(OC[C@H]5CCCO5)nc(C(=O)N[C@H](C)CO)n4)CC3)c12.COc1ccnc2n[nH]c(C3CCN(c4cc(C(=O)NCCN(C)C)nc(OCC5CC5)n4)CC3)c12 |
| InChI | InChI=1S/C27H34N8O3.C26H35N5O3.C25H34N8O3.C25H33N7O5/c1-5-27(9-10-27)17-38-26-30-19(25(36)29-12-15-34(2)3)16-21(31-26)35-13-7-18(8-14-35)23-22-20(37-4)6-11-28-24(22)33-32-23;1-5-17(2)28-25(32)23-15-24(30-26(29-23)34-16-18(3)33-4)31-13-10-19(11-14-31)20-8-9-22-21(20)7-6-12-27-22;1-32(2)13-10-27-24(34)18-14-20(29-25(28-18)36-15-16-4-5-16)33-11-7-17(8-12-33)22-21-19(35-3)6-9-26-23(21)31-30-22;1-15(13-33)28-23(34)22-29-24(31-25(30-22)37-14-17-4-3-11-36-17)32-9-6-16(7-10-32)18-12-27-21-20(18)19(35-2)5-8-26-21/h1,6,11,16,18H,7-10,12-15,17H2,2-4H3,(H,29,36)(H,28,32,33);6-8,12,15,17-19H,5,9-11,13-14,16H2,1-4H3,(H,28,32);6,9,14,16-17H,4-5,7-8,10-13,15H2,1-3H3,(H,27,34)(H,26,30,31);5,8,12,15-17,33H,3-4,6-7,9-11,13-14H2,1-2H3,(H,26,27)(H,28,34)/t;17-,18-;;15-,17-/m.1.1/s1 |
| InChIKey | KGOWVGMNXAQOAB-WOUPSBIGSA-N |
| XLogP | 9.92 |
| TPSA | 479.86 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 145 |
| Complexity | — |
4 violations
| Rule | Value |
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| MW ≤ 500 | 1990.40 |
| LogP ≤ 5 | 9.92 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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