[(4aR,6S)-1-(4-fluorophenyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aS,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]indol-4a-yl]-(4-fluoro-2-pyridinyl)methanone

C116H104F20N28O8S4 — CID 163867067

About [(4aR,6S)-1-(4-fluorophenyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aS,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]indol-4a-yl]-(4-fluoro-2-pyridinyl)methanone

[(4aR,6S)-1-(4-fluorophenyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aS,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]indol-4a-yl]-(4-fluoro-2-pyridinyl)methanone (PubChem CID 163867067) has the molecular formula C116H104F20N28O8S4 and a molecular weight of 2526.52 g/mol. Its IUPAC name is [(4aR,6S)-1-(4-fluorophenyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aS,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]indol-4a-yl]-(4-fluoro-2-pyridinyl)methanone.

Molecular Properties

• Compound Name: [(4aR,6S)-1-(4-fluorophenyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aS,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]indol-4a-yl]-(4-fluoro-2-pyridinyl)methanone
• PubChem CID: 163867067
• Molecular Formula: C116H104F20N28O8S4
• Molecular Weight: 2526.52 g/mol
• Exact Mass: 2524.72
• IUPAC Name: [(4aR,6S)-1-(4-fluorophenyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aS,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]indol-4a-yl]-(4-fluoro-2-pyridinyl)methanone
• SMILES: C=S(=O)(c1cnn(C)c1)N(CC(F)(F)F)[C@H]1CCC2=Cc3c(ccn3-c3ccc(F)nc3)C[C@]2(C(=O)c2cc(F)ccn2)C1.C=S(=O)(c1cnn(C)c1)N(CC(F)(F)F)[C@H]1CCC2=Cc3c(ncn3-c3ccc(F)nc3)C[C@]2(C(=O)c2cc(F)ccn2)C1.C=S(=O)(c1cnn(C)c1)N(CC(F)(F)F)[C@H]1CCC2=Cc3c(nnn3-c3ccc(F)cc3)C[C@]2(C(=O)c2cc(F)ccn2)C1.C=S(=O)(c1cnn(C)c1)N(CC(F)(F)F)[C@H]1CCC2=Cc3c(nnn3-c3ccc(F)nc3)C[C@]2(C(=O)c2cc(F)ccn2)C1
• InChI: InChI=1S/C30H27F5N6O2S.2C29H26F5N7O2S.C28H25F5N8O2S/c1-39-17-24(16-38-39)44(2,43)41(18-30(33,34)35)22-4-3-20-11-26-19(8-10-40(26)23-5-6-27(32)37-15-23)13-29(20,14-22)28(42)25-12-21(31)7-9-36-25;1-39-16-23(15-36-39)44(2,43)40(17-29(32,33)34)22-6-3-18-11-26-25(37-38-41(26)21-7-4-19(30)5-8-21)14-28(18,13-22)27(42)24-12-20(31)9-10-35-24;1-39-15-22(14-38-39)44(2,43)41(16-29(32,33)34)20-4-3-18-9-25-24(37-17-40(25)21-5-6-26(31)36-13-21)12-28(18,11-20)27(42)23-10-19(30)7-8-35-23;1-39-15-21(14-36-39)44(2,43)40(16-28(31,32)33)19-4-3-17-9-24-23(37-38-41(24)20-5-6-25(30)35-13-20)12-27(17,11-19)26(42)22-10-18(29)7-8-34-22/h5-12,15-17,22H,2-4,13-14,18H2,1H3;4-5,7-12,15-16,22H,2-3,6,13-14,17H2,1H3;5-10,13-15,17,20H,2-4,11-12,16H2,1H3;5-10,13-15,19H,2-4,11-12,16H2,1H3/t22-,29-,44?;22-,28+,44?;20-,28+,44?;19-,27+,44?/m0000/s1
• InChIKey: PHOAXFSXWPKUQP-WBVCJLPQSA-N
• XLogP: 18.36
• TPSA: 395.20 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 28
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2526.52
LogP ≤ 5	18.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(4aR,6S)-1-(4-fluorophenyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aS,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]indol-4a-yl]-(4-fluoro-2-pyridinyl)methanone?

The IUPAC name of [(4aR,6S)-1-(4-fluorophenyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aS,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]indol-4a-yl]-(4-fluoro-2-pyridinyl)methanone (CID 163867067) is [(4aR,6S)-1-(4-fluorophenyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aS,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]indol-4a-yl]-(4-fluoro-2-pyridinyl)methanone.

What is the SMILES notation for [(4aR,6S)-1-(4-fluorophenyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aS,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]indol-4a-yl]-(4-fluoro-2-pyridinyl)methanone?

The canonical SMILES for [(4aR,6S)-1-(4-fluorophenyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aS,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]indol-4a-yl]-(4-fluoro-2-pyridinyl)methanone is C=S(=O)(c1cnn(C)c1)N(CC(F)(F)F)[C@H]1CCC2=Cc3c(ccn3-c3ccc(F)nc3)C[C@]2(C(=O)c2cc(F)ccn2)C1.C=S(=O)(c1cnn(C)c1)N(CC(F)(F)F)[C@H]1CCC2=Cc3c(ncn3-c3ccc(F)nc3)C[C@]2(C(=O)c2cc(F)ccn2)C1.C=S(=O)(c1cnn(C)c1)N(CC(F)(F)F)[C@H]1CCC2=Cc3c(nnn3-c3ccc(F)cc3)C[C@]2(C(=O)c2cc(F)ccn2)C1.C=S(=O)(c1cnn(C)c1)N(CC(F)(F)F)[C@H]1CCC2=Cc3c(nnn3-c3ccc(F)nc3)C[C@]2(C(=O)c2cc(F)ccn2)C1.

What is the InChIKey of [(4aR,6S)-1-(4-fluorophenyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aS,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]indol-4a-yl]-(4-fluoro-2-pyridinyl)methanone?

The InChIKey is PHOAXFSXWPKUQP-WBVCJLPQSA-N. The full InChI is InChI=1S/C30H27F5N6O2S.2C29H26F5N7O2S.C28H25F5N8O2S/c1-39-17-24(16-38-39)44(2,43)41(18-30(33,34)35)22-4-3-20-11-26-19(8-10-40(26)23-5-6-27(32)37-15-23)13-29(20,14-22)28(42)25-12-21(31)7-9-36-25;1-39-16-23(15-36-39)44(2,43)40(17-29(32,33)34)22-6-3-18-11-26-25(37-38-41(26)21-7-4-19(30)5-8-21)14-28(18,13-22)27(42)24-12-20(31)9-10-35-24;1-39-15-22(14-38-39)44(2,43)41(16-29(32,33)34)20-4-3-18-9-25-24(37-17-40(25)21-5-6-26(31)36-13-21)12-28(18,11-20)27(42)23-10-19(30)7-8-35-23;1-39-15-21(14-36-39)44(2,43)40(16-28(31,32)33)19-4-3-17-9-24-23(37-38-41(24)20-5-6-25(30)35-13-20)12-27(17,11-19)26(42)22-10-18(29)7-8-34-22/h5-12,15-17,22H,2-4,13-14,18H2,1H3;4-5,7-12,15-16,22H,2-3,6,13-14,17H2,1H3;5-10,13-15,17,20H,2-4,11-12,16H2,1H3;5-10,13-15,19H,2-4,11-12,16H2,1H3/t22-,29-,44?;22-,28+,44?;20-,28+,44?;19-,27+,44?/m0000/s1.

What are the key properties of [(4aR,6S)-1-(4-fluorophenyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aS,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]indol-4a-yl]-(4-fluoro-2-pyridinyl)methanone?

[(4aR,6S)-1-(4-fluorophenyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aS,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]indol-4a-yl]-(4-fluoro-2-pyridinyl)methanone has a molecular weight of 2526.52 g/mol, XLogP of 18.36, 28 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for [(4aR,6S)-1-(4-fluorophenyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzimidazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aR,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]benzotriazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aS,6S)-1-(6-fluoro-3-pyridinyl)-6-[[methylidene-(1-methylpyrazol-4-yl)-oxo-λ6-sulfanyl]-(2,2,2-trifluoroethyl)amino]-5,6,7,8-tetrahydro-4H-benzo[f]indol-4a-yl]-(4-fluoro-2-pyridinyl)methanone is sourced from PubChem (CID 163867067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).