C87H103N37O12 — CID 158387752
2-amino-5-[2-(dimethylamino)ethylamino]-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-[(1-methylpyrrolidin-2-yl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-(oxetan-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-(propylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 158387752) has the molecular formula C87H103N37O12 and a molecular weight of 1859.03 g/mol. Its IUPAC name is 2-amino-5-[2-(dimethylamino)ethylamino]-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-[(1-methylpyrrolidin-2-yl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-(oxetan-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-(propylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
| Compound Name | 2-amino-5-[2-(dimethylamino)ethylamino]-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-[(1-methylpyrrolidin-2-yl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-(oxetan-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-(propylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide |
|---|---|
| PubChem CID | 158387752 |
| Molecular Formula | C87H103N37O12 |
| Molecular Weight | 1859.03 g/mol |
| Exact Mass | 1857.86 |
| IUPAC Name | 2-amino-5-[2-(dimethylamino)ethylamino]-N-(4-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-[(1-methylpyrrolidin-2-yl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-(oxetan-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-(4-methoxy-3-pyridinyl)-5-(propylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide |
| SMILES | CCCNc1ccn2nc(N)c(C(=O)Nc3cnccc3OC)c2n1.COc1ccncc1NC(=O)c1c(N)nn2ccc(N3CC4(COC4)C3)nc12.COc1ccncc1NC(=O)c1c(N)nn2ccc(NCC3CCCN3C)nc12.COc1ccncc1NC(=O)c1c(N)nn2ccc(NCC3COC3)nc12.COc1ccncc1NC(=O)c1c(N)nn2ccc(NCCN(C)C)nc12 |
| InChI | InChI=1S/C19H24N8O2.C18H19N7O3.C17H22N8O2.C17H19N7O3.C16H19N7O2/c1-26-8-3-4-12(26)10-22-15-6-9-27-18(24-15)16(17(20)25-27)19(28)23-13-11-21-7-5-14(13)29-2;1-27-12-2-4-20-6-11(12)21-17(26)14-15(19)23-25-5-3-13(22-16(14)25)24-7-18(8-24)9-28-10-18;1-24(2)9-7-20-13-5-8-25-16(22-13)14(15(18)23-25)17(26)21-11-10-19-6-4-12(11)27-3;1-26-12-2-4-19-7-11(12)21-17(25)14-15(18)23-24-5-3-13(22-16(14)24)20-6-10-8-27-9-10;1-3-6-19-12-5-8-23-15(21-12)13(14(17)22-23)16(24)20-10-9-18-7-4-11(10)25-2/h5-7,9,11-12H,3-4,8,10H2,1-2H3,(H2,20,25)(H,22,24)(H,23,28);2-6H,7-10H2,1H3,(H2,19,23)(H,21,26);4-6,8,10H,7,9H2,1-3H3,(H2,18,23)(H,20,22)(H,21,26);2-5,7,10H,6,8-9H2,1H3,(H2,18,23)(H,20,22)(H,21,25);4-5,7-9H,3,6H2,1-2H3,(H2,17,22)(H,19,21)(H,20,24) |
| InChIKey | GWOKXCCFDHIGEO-UHFFFAOYSA-N |
| XLogP | 6.03 |
| TPSA | 613.45 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 136 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1859.03 |
| LogP ≤ 5 | 6.03 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 44 |