(2R,4R)-N-[2-(difluoromethyl)-4-pyridinyl]-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;methyl 2-[(2R,4R)-9-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-2-oxoacetate;methyl (2R,4R)-7-(2-ethoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;(2R,4R)-8-methyl-7-oxalo-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylic acid;triazolo[4,5-b]pyridin-3-yl (2R,4R)-7-(2-methoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate
C88H81F6N17O22 — CID 162151061
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC(2R,4R)-N-[2-(difluoromethyl)-4-pyridinyl]-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;methyl 2-[(2R,4R)-9-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-2-oxoacetate;methyl (2R,4R)-7-(2-ethoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;(2R,4R)-8-methyl-7-oxalo-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylic acid;triazolo[4,5-b]pyridin-3-yl (2R,4R)-7-(2-methoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate
SMILESCCOC(=O)C(=O)c1c(C)c(C(=O)OC)n2c1C[C@H]1C[C@H]12.COC(=O)C(=O)c1c(C)c(C(=O)Nc2ccnc(C(F)F)c2)n2c1C[C@H]1C[C@H]12.COC(=O)C(=O)c1c(C)c(C(=O)On2nnc3cccnc32)n2c1C[C@H]1C[C@H]12.Cc1c(C(=O)C(=O)NC2(c3cn[nH]n3)CC(F)(F)C2)c2n(c1C(=O)Nc1ccnc(C(F)F)c1)[C@@H]1C[C@@H]1C2.Cc1c(C(=O)C(=O)O)c2n(c1C(=O)O)[C@@H]1C[C@@H]1C2
InChIInChI=1S/C24H21F4N7O3.C19H17F2N3O4.C18H15N5O5.C15H17NO5.C12H11NO5/c1-10-17(19(36)22(38)32-23(8-24(27,28)9-23)16-7-30-34-33-16)15-5-11-4-14(11)35(15)18(10)21(37)31-12-2-3-29-13(6-12)20(25)26;1-8-14(16(25)19(27)28-2)13-6-9-5-12(9)24(13)15(8)18(26)23-10-3-4-22-11(7-10)17(20)21;1-8-13(15(24)18(26)27-2)12-7-9-6-11(9)22(12)14(8)17(25)28-23-16-10(20-21-23)4-3-5-19-16;1-4-21-15(19)13(17)11-7(2)12(14(18)20-3)16-9-5-8(9)6-10(11)16;1-4-8(10(14)12(17)18)7-3-5-2-6(5)13(7)9(4)11(15)16/h2-3,6-7,11,14,20H,4-5,8-9H2,1H3,(H,32,38)(H,29,31,37)(H,30,33,34);3-4,7,9,12,17H,5-6H2,1-2H3,(H,22,23,26);3-5,9,11H,6-7H2,1-2H3;8-9H,4-6H2,1-3H3;5-6H,2-3H2,1H3,(H,15,16)(H,17,18)/t11-,14-;9-,12-;9-,11-;8-,9-;5-,6-/m11111/s1
InChIKeyZLFFMQJKQVUWJZ-ZRMMFAKLSA-N
MW1842.70 g/mol
LogP9.10
Rot. Bonds23
About (2R,4R)-N-[2-(difluoromethyl)-4-pyridinyl]-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;methyl 2-[(2R,4R)-9-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-2-oxoacetate;methyl (2R,4R)-7-(2-ethoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;(2R,4R)-8-methyl-7-oxalo-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylic acid;triazolo[4,5-b]pyridin-3-yl (2R,4R)-7-(2-methoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate
(2R,4R)-N-[2-(difluoromethyl)-4-pyridinyl]-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;methyl 2-[(2R,4R)-9-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-2-oxoacetate;methyl (2R,4R)-7-(2-ethoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;(2R,4R)-8-methyl-7-oxalo-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylic acid;triazolo[4,5-b]pyridin-3-yl (2R,4R)-7-(2-methoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate (PubChem CID 162151061) has the molecular formula C88H81F6N17O22 and a molecular weight of 1842.70 g/mol. Its IUPAC name is (2R,4R)-N-[2-(difluoromethyl)-4-pyridinyl]-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;methyl 2-[(2R,4R)-9-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-2-oxoacetate;methyl (2R,4R)-7-(2-ethoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;(2R,4R)-8-methyl-7-oxalo-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylic acid;triazolo[4,5-b]pyridin-3-yl (2R,4R)-7-(2-methoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate.
Molecular Properties
| Compound Name | (2R,4R)-N-[2-(difluoromethyl)-4-pyridinyl]-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;methyl 2-[(2R,4R)-9-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-2-oxoacetate;methyl (2R,4R)-7-(2-ethoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;(2R,4R)-8-methyl-7-oxalo-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylic acid;triazolo[4,5-b]pyridin-3-yl (2R,4R)-7-(2-methoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate |
|---|---|
| PubChem CID | 162151061 |
| Molecular Formula | C88H81F6N17O22 |
| Molecular Weight | 1842.70 g/mol |
| Exact Mass | 1841.56 |
| IUPAC Name | (2R,4R)-N-[2-(difluoromethyl)-4-pyridinyl]-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;methyl 2-[(2R,4R)-9-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-2-oxoacetate;methyl (2R,4R)-7-(2-ethoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;(2R,4R)-8-methyl-7-oxalo-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylic acid;triazolo[4,5-b]pyridin-3-yl (2R,4R)-7-(2-methoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate |
| SMILES | CCOC(=O)C(=O)c1c(C)c(C(=O)OC)n2c1C[C@H]1C[C@H]12.COC(=O)C(=O)c1c(C)c(C(=O)Nc2ccnc(C(F)F)c2)n2c1C[C@H]1C[C@H]12.COC(=O)C(=O)c1c(C)c(C(=O)On2nnc3cccnc32)n2c1C[C@H]1C[C@H]12.Cc1c(C(=O)C(=O)NC2(c3cn[nH]n3)CC(F)(F)C2)c2n(c1C(=O)Nc1ccnc(C(F)F)c1)[C@@H]1C[C@@H]1C2.Cc1c(C(=O)C(=O)O)c2n(c1C(=O)O)[C@@H]1C[C@@H]1C2 |
| InChI | InChI=1S/C24H21F4N7O3.C19H17F2N3O4.C18H15N5O5.C15H17NO5.C12H11NO5/c1-10-17(19(36)22(38)32-23(8-24(27,28)9-23)16-7-30-34-33-16)15-5-11-4-14(11)35(15)18(10)21(37)31-12-2-3-29-13(6-12)20(25)26;1-8-14(16(25)19(27)28-2)13-6-9-5-12(9)24(13)15(8)18(26)23-10-3-4-22-11(7-10)17(20)21;1-8-13(15(24)18(26)27-2)12-7-9-6-11(9)22(12)14(8)17(25)28-23-16-10(20-21-23)4-3-5-19-16;1-4-21-15(19)13(17)11-7(2)12(14(18)20-3)16-9-5-8(9)6-10(11)16;1-4-8(10(14)12(17)18)7-3-5-2-6(5)13(7)9(4)11(15)16/h2-3,6-7,11,14,20H,4-5,8-9H2,1H3,(H,32,38)(H,29,31,37)(H,30,33,34);3-4,7,9,12,17H,5-6H2,1-2H3,(H,22,23,26);3-5,9,11H,6-7H2,1-2H3;8-9H,4-6H2,1-3H3;5-6H,2-3H2,1H3,(H,15,16)(H,17,18)/t11-,14-;9-,12-;9-,11-;8-,9-;5-,6-/m11111/s1 |
| InChIKey | ZLFFMQJKQVUWJZ-ZRMMFAKLSA-N |
| XLogP | 9.10 |
| TPSA | 514.35 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 133 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1842.70 |
| LogP ≤ 5 | 9.10 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 33 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'ester_of_HOBT', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of (2R,4R)-N-[2-(difluoromethyl)-4-pyridinyl]-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;methyl 2-[(2R,4R)-9-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-2-oxoacetate;methyl (2R,4R)-7-(2-ethoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;(2R,4R)-8-methyl-7-oxalo-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylic acid;triazolo[4,5-b]pyridin-3-yl (2R,4R)-7-(2-methoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate?
The IUPAC name of (2R,4R)-N-[2-(difluoromethyl)-4-pyridinyl]-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;methyl 2-[(2R,4R)-9-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-2-oxoacetate;methyl (2R,4R)-7-(2-ethoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;(2R,4R)-8-methyl-7-oxalo-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylic acid;triazolo[4,5-b]pyridin-3-yl (2R,4R)-7-(2-methoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate (CID 162151061) is (2R,4R)-N-[2-(difluoromethyl)-4-pyridinyl]-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;methyl 2-[(2R,4R)-9-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-2-oxoacetate;methyl (2R,4R)-7-(2-ethoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;(2R,4R)-8-methyl-7-oxalo-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylic acid;triazolo[4,5-b]pyridin-3-yl (2R,4R)-7-(2-methoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate.
What is the SMILES notation for (2R,4R)-N-[2-(difluoromethyl)-4-pyridinyl]-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;methyl 2-[(2R,4R)-9-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-2-oxoacetate;methyl (2R,4R)-7-(2-ethoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;(2R,4R)-8-methyl-7-oxalo-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylic acid;triazolo[4,5-b]pyridin-3-yl (2R,4R)-7-(2-methoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate?
The canonical SMILES for (2R,4R)-N-[2-(difluoromethyl)-4-pyridinyl]-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;methyl 2-[(2R,4R)-9-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-2-oxoacetate;methyl (2R,4R)-7-(2-ethoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;(2R,4R)-8-methyl-7-oxalo-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylic acid;triazolo[4,5-b]pyridin-3-yl (2R,4R)-7-(2-methoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate is CCOC(=O)C(=O)c1c(C)c(C(=O)OC)n2c1C[C@H]1C[C@H]12.COC(=O)C(=O)c1c(C)c(C(=O)Nc2ccnc(C(F)F)c2)n2c1C[C@H]1C[C@H]12.COC(=O)C(=O)c1c(C)c(C(=O)On2nnc3cccnc32)n2c1C[C@H]1C[C@H]12.Cc1c(C(=O)C(=O)NC2(c3cn[nH]n3)CC(F)(F)C2)c2n(c1C(=O)Nc1ccnc(C(F)F)c1)[C@@H]1C[C@@H]1C2.Cc1c(C(=O)C(=O)O)c2n(c1C(=O)O)[C@@H]1C[C@@H]1C2.
What is the InChIKey of (2R,4R)-N-[2-(difluoromethyl)-4-pyridinyl]-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;methyl 2-[(2R,4R)-9-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-2-oxoacetate;methyl (2R,4R)-7-(2-ethoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;(2R,4R)-8-methyl-7-oxalo-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylic acid;triazolo[4,5-b]pyridin-3-yl (2R,4R)-7-(2-methoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate?
The InChIKey is ZLFFMQJKQVUWJZ-ZRMMFAKLSA-N. The full InChI is InChI=1S/C24H21F4N7O3.C19H17F2N3O4.C18H15N5O5.C15H17NO5.C12H11NO5/c1-10-17(19(36)22(38)32-23(8-24(27,28)9-23)16-7-30-34-33-16)15-5-11-4-14(11)35(15)18(10)21(37)31-12-2-3-29-13(6-12)20(25)26;1-8-14(16(25)19(27)28-2)13-6-9-5-12(9)24(13)15(8)18(26)23-10-3-4-22-11(7-10)17(20)21;1-8-13(15(24)18(26)27-2)12-7-9-6-11(9)22(12)14(8)17(25)28-23-16-10(20-21-23)4-3-5-19-16;1-4-21-15(19)13(17)11-7(2)12(14(18)20-3)16-9-5-8(9)6-10(11)16;1-4-8(10(14)12(17)18)7-3-5-2-6(5)13(7)9(4)11(15)16/h2-3,6-7,11,14,20H,4-5,8-9H2,1H3,(H,32,38)(H,29,31,37)(H,30,33,34);3-4,7,9,12,17H,5-6H2,1-2H3,(H,22,23,26);3-5,9,11H,6-7H2,1-2H3;8-9H,4-6H2,1-3H3;5-6H,2-3H2,1H3,(H,15,16)(H,17,18)/t11-,14-;9-,12-;9-,11-;8-,9-;5-,6-/m11111/s1.
What are the key properties of (2R,4R)-N-[2-(difluoromethyl)-4-pyridinyl]-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;methyl 2-[(2R,4R)-9-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-2-oxoacetate;methyl (2R,4R)-7-(2-ethoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;(2R,4R)-8-methyl-7-oxalo-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylic acid;triazolo[4,5-b]pyridin-3-yl (2R,4R)-7-(2-methoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate?
(2R,4R)-N-[2-(difluoromethyl)-4-pyridinyl]-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;methyl 2-[(2R,4R)-9-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-2-oxoacetate;methyl (2R,4R)-7-(2-ethoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;(2R,4R)-8-methyl-7-oxalo-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylic acid;triazolo[4,5-b]pyridin-3-yl (2R,4R)-7-(2-methoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate has a molecular weight of 1842.70 g/mol, XLogP of 9.10, 23 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-[2-(difluoromethyl)-4-pyridinyl]-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxamide;methyl 2-[(2R,4R)-9-[[2-(difluoromethyl)-4-pyridinyl]carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-2-oxoacetate;methyl (2R,4R)-7-(2-ethoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;(2R,4R)-8-methyl-7-oxalo-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylic acid;triazolo[4,5-b]pyridin-3-yl (2R,4R)-7-(2-methoxy-2-oxoacetyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate is sourced from PubChem (CID 162151061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 162151061 — identifiers, structure, computed properties (public domain)
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