N-cyclobutyl-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-cyclobutyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(5-fluoro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
C91H101F4N35O10 — CID 158119842
Data last refreshed: (MolForge compound catalog, from PubChem)
About N-cyclobutyl-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-cyclobutyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(5-fluoro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
N-cyclobutyl-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-cyclobutyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(5-fluoro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 158119842) has the molecular formula C91H101F4N35O10 and a molecular weight of 1930.09 g/mol. Its IUPAC name is N-cyclobutyl-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-cyclobutyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(5-fluoro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
Molecular Properties
| Compound Name | N-cyclobutyl-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-cyclobutyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(5-fluoro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide |
|---|---|
| PubChem CID | 158119842 |
| Molecular Formula | C91H101F4N35O10 |
| Molecular Weight | 1930.09 g/mol |
| Exact Mass | 1928.90 |
| IUPAC Name | N-cyclobutyl-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-cyclobutyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-5-[(5-fluoro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-[[2-(trideuteriomethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide |
| SMILES | CNc1cc(Nc2cc(F)cnc2OC(C)C)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.CNc1cc(Nc2cccnc2OC2CCC2)nc2c(C(=O)N[C@H]3C[C@H]3F)cnn12.[2H]C([2H])([2H])Oc1ncccc1Nc1cc(NC)n2ncc(C(=O)NC3CC3)c2n1.[2H]C([2H])([2H])Oc1ncccc1Nc1cc(NC)n2ncc(C(=O)NC3CCC3)c2n1.[2H]C([2H])([2H])Oc1ncccc1Nc1cc(NC)n2ncc(C(=O)N[C@H]3C[C@H]3F)c2n1 |
| InChI | InChI=1S/C20H22FN7O2.C19H21F2N7O2.C18H21N7O2.C17H18FN7O2.C17H19N7O2/c1-22-17-9-16(25-14-6-3-7-23-20(14)30-11-4-2-5-11)27-18-12(10-24-28(17)18)19(29)26-15-8-13(15)21;1-9(2)30-19-14(4-10(20)7-23-19)25-15-6-16(22-3)28-17(27-15)11(8-24-28)18(29)26-13-5-12(13)21;1-19-15-9-14(23-13-7-4-8-20-18(13)27-2)24-16-12(10-21-25(15)16)17(26)22-11-5-3-6-11;1-19-14-7-13(22-11-4-3-5-20-17(11)27-2)24-15-9(8-21-25(14)15)16(26)23-12-6-10(12)18;1-18-14-8-13(22-12-4-3-7-19-17(12)26-2)23-15-11(9-20-24(14)15)16(25)21-10-5-6-10/h3,6-7,9-11,13,15,22H,2,4-5,8H2,1H3,(H,25,27)(H,26,29);4,6-9,12-13,22H,5H2,1-3H3,(H,25,27)(H,26,29);4,7-11,19H,3,5-6H2,1-2H3,(H,22,26)(H,23,24);3-5,7-8,10,12,19H,6H2,1-2H3,(H,22,24)(H,23,26);3-4,7-10,18H,5-6H2,1-2H3,(H,21,25)(H,22,23)/t13-,15+;12-,13+;;10-,12+;/m11.1./s1/i;;3*2D3 |
| InChIKey | FRLXEVVPAJSLRW-ABRMWQHCSA-N |
| XLogP | 11.13 |
| TPSA | 527.35 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 140 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1930.09 |
| LogP ≤ 5 | 11.13 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 40 |
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Sources
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