(2R,4R)-9-[2-cyano-2-(thiolan-1-ylidene)acetyl]-N-(3,4-difluorophenyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-7-carboxamide;(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylic acid;2-[(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-9-yl]-2-oxoacetic acid;(2R,4R)-N-(3,4-difluorophenyl)-9-[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-7-carboxamide;methyl (2R,4R)-7-[2-(3,4-difluorophenyl)acetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;methyl 2-[(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-9-yl]-2-oxoacetate;9-O-methyl 7-O-(triazolo[4,5-b]pyridin-3-yl) (2R,4R)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-7,9-dicarboxylate

C137H117F14N21O23S — CID 161339392

About (2R,4R)-9-[2-cyano-2-(thiolan-1-ylidene)acetyl]-N-(3,4-difluorophenyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-7-carboxamide;(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylic acid;2-[(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-9-yl]-2-oxoacetic acid;(2R,4R)-N-(3,4-difluorophenyl)-9-[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-7-carboxamide;methyl (2R,4R)-7-[2-(3,4-difluorophenyl)acetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;methyl 2-[(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-9-yl]-2-oxoacetate;9-O-methyl 7-O-(triazolo[4,5-b]pyridin-3-yl) (2R,4R)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-7,9-dicarboxylate

(2R,4R)-9-[2-cyano-2-(thiolan-1-ylidene)acetyl]-N-(3,4-difluorophenyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-7-carboxamide;(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylic acid;2-[(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-9-yl]-2-oxoacetic acid;(2R,4R)-N-(3,4-difluorophenyl)-9-[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-7-carboxamide;methyl (2R,4R)-7-[2-(3,4-difluorophenyl)acetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;methyl 2-[(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-9-yl]-2-oxoacetate;9-O-methyl 7-O-(triazolo[4,5-b]pyridin-3-yl) (2R,4R)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-7,9-dicarboxylate (PubChem CID 161339392) has the molecular formula C137H117F14N21O23S and a molecular weight of 2723.61 g/mol. Its IUPAC name is (2R,4R)-9-[2-cyano-2-(thiolan-1-ylidene)acetyl]-N-(3,4-difluorophenyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-7-carboxamide;(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylic acid;2-[(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-9-yl]-2-oxoacetic acid;(2R,4R)-N-(3,4-difluorophenyl)-9-[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-7-carboxamide;methyl (2R,4R)-7-[2-(3,4-difluorophenyl)acetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;methyl 2-[(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-9-yl]-2-oxoacetate;9-O-methyl 7-O-(triazolo[4,5-b]pyridin-3-yl) (2R,4R)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-7,9-dicarboxylate.

Molecular Properties

• Compound Name: (2R,4R)-9-[2-cyano-2-(thiolan-1-ylidene)acetyl]-N-(3,4-difluorophenyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-7-carboxamide;(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylic acid;2-[(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-9-yl]-2-oxoacetic acid;(2R,4R)-N-(3,4-difluorophenyl)-9-[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-7-carboxamide;methyl (2R,4R)-7-[2-(3,4-difluorophenyl)acetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;methyl 2-[(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-9-yl]-2-oxoacetate;9-O-methyl 7-O-(triazolo[4,5-b]pyridin-3-yl) (2R,4R)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-7,9-dicarboxylate
• PubChem CID: 161339392
• Molecular Formula: C137H117F14N21O23S
• Molecular Weight: 2723.61 g/mol
• Exact Mass: 2721.81
• IUPAC Name: (2R,4R)-9-[2-cyano-2-(thiolan-1-ylidene)acetyl]-N-(3,4-difluorophenyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-7-carboxamide;(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylic acid;2-[(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-9-yl]-2-oxoacetic acid;(2R,4R)-N-(3,4-difluorophenyl)-9-[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-7-carboxamide;methyl (2R,4R)-7-[2-(3,4-difluorophenyl)acetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;methyl 2-[(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-9-yl]-2-oxoacetate;9-O-methyl 7-O-(triazolo[4,5-b]pyridin-3-yl) (2R,4R)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-7,9-dicarboxylate
• SMILES: COC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(F)c2)c2n1[C@@H]1C[C@@H]1C2.COC(=O)c1c(C)c(C(=O)Cc2ccc(F)c(F)c2)c2n1[C@@H]1C[C@@H]1C2.COC(=O)c1c(C)c(C(=O)On2nnc3cccnc32)c2n1[C@@H]1C[C@@H]1C2.Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2n(c1C(=O)C(=O)NC1(c3cn[nH]n3)CC(F)(F)C1)[C@@H]1C[C@@H]1C2.Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2n(c1C(=O)C(=O)O)[C@@H]1C[C@@H]1C2.Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2n(c1C(=O)C(C#N)=S1CCCC1)[C@@H]1C[C@@H]1C2.Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2n(c1C(=O)O)[C@@H]1C[C@@H]1C2
• InChI: InChI=1S/C24H20F4N6O3.C23H21F2N3O2S.C19H16F2N2O4.C19H17F2NO3.C18H14F2N2O4.C17H14F2N2O3.C17H15N5O4/c1-10-18(21(36)30-12-2-3-13(25)14(26)6-12)16-5-11-4-15(11)34(16)19(10)20(35)22(37)31-23(8-24(27,28)9-23)17-7-29-33-32-17;1-12-20(23(30)27-14-4-5-15(24)16(25)10-14)18-9-13-8-17(13)28(18)21(12)22(29)19(11-26)31-6-2-3-7-31;1-8-15(18(25)22-10-3-4-11(20)12(21)7-10)14-6-9-5-13(9)23(14)16(8)17(24)19(26)27-2;1-9-17(16(23)6-10-3-4-12(20)13(21)5-10)15-8-11-7-14(11)22(15)18(9)19(24)25-2;1-7-14(17(24)21-9-2-3-10(19)11(20)6-9)13-5-8-4-12(8)22(13)15(7)16(23)18(25)26;1-7-14(16(22)20-9-2-3-10(18)11(19)6-9)13-5-8-4-12(8)21(13)15(7)17(23)24;1-8-13(12-7-9-6-11(9)21(12)14(8)17(24)25-2)16(23)26-22-15-10(19-20-22)4-3-5-18-15/h2-3,6-7,11,15H,4-5,8-9H2,1H3,(H,30,36)(H,31,37)(H,29,32,33);4-5,10,13,17H,2-3,6-9H2,1H3,(H,27,30);3-4,7,9,13H,5-6H2,1-2H3,(H,22,25);3-5,11,14H,6-8H2,1-2H3;2-3,6,8,12H,4-5H2,1H3,(H,21,24)(H,25,26);2-3,6,8,12H,4-5H2,1H3,(H,20,22)(H,23,24);3-5,9,11H,6-7H2,1-2H3/t11-,15-;13-,17-;9-,13-;11-,14-;2*8-,12-;9-,11-/m1111111/s1
• InChIKey: VMLSQICIHHPHPI-FFOAWLOQSA-N
• XLogP: 20.74
• TPSA: 583.22 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 35
• Rotatable Bonds: 28
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2723.61
LogP ≤ 5	20.74
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'ester_of_HOBT', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-9-[2-cyano-2-(thiolan-1-ylidene)acetyl]-N-(3,4-difluorophenyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-7-carboxamide;(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylic acid;2-[(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-9-yl]-2-oxoacetic acid;(2R,4R)-N-(3,4-difluorophenyl)-9-[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-7-carboxamide;methyl (2R,4R)-7-[2-(3,4-difluorophenyl)acetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;methyl 2-[(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-9-yl]-2-oxoacetate;9-O-methyl 7-O-(triazolo[4,5-b]pyridin-3-yl) (2R,4R)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-7,9-dicarboxylate?

The IUPAC name of (2R,4R)-9-[2-cyano-2-(thiolan-1-ylidene)acetyl]-N-(3,4-difluorophenyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-7-carboxamide;(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylic acid;2-[(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-9-yl]-2-oxoacetic acid;(2R,4R)-N-(3,4-difluorophenyl)-9-[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-7-carboxamide;methyl (2R,4R)-7-[2-(3,4-difluorophenyl)acetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;methyl 2-[(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-9-yl]-2-oxoacetate;9-O-methyl 7-O-(triazolo[4,5-b]pyridin-3-yl) (2R,4R)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-7,9-dicarboxylate (CID 161339392) is (2R,4R)-9-[2-cyano-2-(thiolan-1-ylidene)acetyl]-N-(3,4-difluorophenyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-7-carboxamide;(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylic acid;2-[(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-9-yl]-2-oxoacetic acid;(2R,4R)-N-(3,4-difluorophenyl)-9-[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-7-carboxamide;methyl (2R,4R)-7-[2-(3,4-difluorophenyl)acetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;methyl 2-[(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-9-yl]-2-oxoacetate;9-O-methyl 7-O-(triazolo[4,5-b]pyridin-3-yl) (2R,4R)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-7,9-dicarboxylate.

What is the SMILES notation for (2R,4R)-9-[2-cyano-2-(thiolan-1-ylidene)acetyl]-N-(3,4-difluorophenyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-7-carboxamide;(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylic acid;2-[(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-9-yl]-2-oxoacetic acid;(2R,4R)-N-(3,4-difluorophenyl)-9-[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-7-carboxamide;methyl (2R,4R)-7-[2-(3,4-difluorophenyl)acetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;methyl 2-[(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-9-yl]-2-oxoacetate;9-O-methyl 7-O-(triazolo[4,5-b]pyridin-3-yl) (2R,4R)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-7,9-dicarboxylate?

The canonical SMILES for (2R,4R)-9-[2-cyano-2-(thiolan-1-ylidene)acetyl]-N-(3,4-difluorophenyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-7-carboxamide;(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylic acid;2-[(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-9-yl]-2-oxoacetic acid;(2R,4R)-N-(3,4-difluorophenyl)-9-[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-7-carboxamide;methyl (2R,4R)-7-[2-(3,4-difluorophenyl)acetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;methyl 2-[(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-9-yl]-2-oxoacetate;9-O-methyl 7-O-(triazolo[4,5-b]pyridin-3-yl) (2R,4R)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-7,9-dicarboxylate is COC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(F)c2)c2n1[C@@H]1C[C@@H]1C2.COC(=O)c1c(C)c(C(=O)Cc2ccc(F)c(F)c2)c2n1[C@@H]1C[C@@H]1C2.COC(=O)c1c(C)c(C(=O)On2nnc3cccnc32)c2n1[C@@H]1C[C@@H]1C2.Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2n(c1C(=O)C(=O)NC1(c3cn[nH]n3)CC(F)(F)C1)[C@@H]1C[C@@H]1C2.Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2n(c1C(=O)C(=O)O)[C@@H]1C[C@@H]1C2.Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2n(c1C(=O)C(C#N)=S1CCCC1)[C@@H]1C[C@@H]1C2.Cc1c(C(=O)Nc2ccc(F)c(F)c2)c2n(c1C(=O)O)[C@@H]1C[C@@H]1C2.

What is the InChIKey of (2R,4R)-9-[2-cyano-2-(thiolan-1-ylidene)acetyl]-N-(3,4-difluorophenyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-7-carboxamide;(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylic acid;2-[(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-9-yl]-2-oxoacetic acid;(2R,4R)-N-(3,4-difluorophenyl)-9-[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-7-carboxamide;methyl (2R,4R)-7-[2-(3,4-difluorophenyl)acetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;methyl 2-[(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-9-yl]-2-oxoacetate;9-O-methyl 7-O-(triazolo[4,5-b]pyridin-3-yl) (2R,4R)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-7,9-dicarboxylate?

The InChIKey is VMLSQICIHHPHPI-FFOAWLOQSA-N. The full InChI is InChI=1S/C24H20F4N6O3.C23H21F2N3O2S.C19H16F2N2O4.C19H17F2NO3.C18H14F2N2O4.C17H14F2N2O3.C17H15N5O4/c1-10-18(21(36)30-12-2-3-13(25)14(26)6-12)16-5-11-4-15(11)34(16)19(10)20(35)22(37)31-23(8-24(27,28)9-23)17-7-29-33-32-17;1-12-20(23(30)27-14-4-5-15(24)16(25)10-14)18-9-13-8-17(13)28(18)21(12)22(29)19(11-26)31-6-2-3-7-31;1-8-15(18(25)22-10-3-4-11(20)12(21)7-10)14-6-9-5-13(9)23(14)16(8)17(24)19(26)27-2;1-9-17(16(23)6-10-3-4-12(20)13(21)5-10)15-8-11-7-14(11)22(15)18(9)19(24)25-2;1-7-14(17(24)21-9-2-3-10(19)11(20)6-9)13-5-8-4-12(8)22(13)15(7)16(23)18(25)26;1-7-14(16(22)20-9-2-3-10(18)11(19)6-9)13-5-8-4-12(8)21(13)15(7)17(23)24;1-8-13(12-7-9-6-11(9)21(12)14(8)17(24)25-2)16(23)26-22-15-10(19-20-22)4-3-5-18-15/h2-3,6-7,11,15H,4-5,8-9H2,1H3,(H,30,36)(H,31,37)(H,29,32,33);4-5,10,13,17H,2-3,6-9H2,1H3,(H,27,30);3-4,7,9,13H,5-6H2,1-2H3,(H,22,25);3-5,11,14H,6-8H2,1-2H3;2-3,6,8,12H,4-5H2,1H3,(H,21,24)(H,25,26);2-3,6,8,12H,4-5H2,1H3,(H,20,22)(H,23,24);3-5,9,11H,6-7H2,1-2H3/t11-,15-;13-,17-;9-,13-;11-,14-;2*8-,12-;9-,11-/m1111111/s1.

What are the key properties of (2R,4R)-9-[2-cyano-2-(thiolan-1-ylidene)acetyl]-N-(3,4-difluorophenyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-7-carboxamide;(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylic acid;2-[(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-9-yl]-2-oxoacetic acid;(2R,4R)-N-(3,4-difluorophenyl)-9-[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-7-carboxamide;methyl (2R,4R)-7-[2-(3,4-difluorophenyl)acetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;methyl 2-[(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-9-yl]-2-oxoacetate;9-O-methyl 7-O-(triazolo[4,5-b]pyridin-3-yl) (2R,4R)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-7,9-dicarboxylate?

(2R,4R)-9-[2-cyano-2-(thiolan-1-ylidene)acetyl]-N-(3,4-difluorophenyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-7-carboxamide;(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylic acid;2-[(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-9-yl]-2-oxoacetic acid;(2R,4R)-N-(3,4-difluorophenyl)-9-[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-7-carboxamide;methyl (2R,4R)-7-[2-(3,4-difluorophenyl)acetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;methyl 2-[(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-9-yl]-2-oxoacetate;9-O-methyl 7-O-(triazolo[4,5-b]pyridin-3-yl) (2R,4R)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-7,9-dicarboxylate has a molecular weight of 2723.61 g/mol, XLogP of 20.74, 28 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R)-9-[2-cyano-2-(thiolan-1-ylidene)acetyl]-N-(3,4-difluorophenyl)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-7-carboxamide;(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylic acid;2-[(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-9-yl]-2-oxoacetic acid;(2R,4R)-N-(3,4-difluorophenyl)-9-[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-7-carboxamide;methyl (2R,4R)-7-[2-(3,4-difluorophenyl)acetyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-9-carboxylate;methyl 2-[(2R,4R)-7-[(3,4-difluorophenyl)carbamoyl]-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-dien-9-yl]-2-oxoacetate;9-O-methyl 7-O-(triazolo[4,5-b]pyridin-3-yl) (2R,4R)-8-methyl-1-azatricyclo[4.3.0.02,4]nona-6,8-diene-7,9-dicarboxylate is sourced from PubChem (CID 161339392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).