[(4aS,6S)-6-[[(6-chloro-3-pyridinyl)-methylidene-oxo-λ6-sulfanyl]-(2,2-difluoroethyl)amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-chloro-2-pyridinyl)methanone;[(4aS,6S)-6-[[(6-chloro-3-pyridinyl)-methylidene-oxo-λ6-sulfanyl]-(2,2-difluoroethyl)amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aS,6S)-6-[(3,3-difluorocyclobutyl)-[methylidene-(1-methylpyrazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-chloro-2-pyridinyl)methanone;[(4aS,6S)-6-[2,2-difluoroethyl-[methylidene-(1-methyltriazol-4-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanone

C122H107Cl4F16N23O8S5 — CID 158108341

About [(4aS,6S)-6-[[(6-chloro-3-pyridinyl)-methylidene-oxo-λ6-sulfanyl]-(2,2-difluoroethyl)amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-chloro-2-pyridinyl)methanone;[(4aS,6S)-6-[[(6-chloro-3-pyridinyl)-methylidene-oxo-λ6-sulfanyl]-(2,2-difluoroethyl)amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aS,6S)-6-[(3,3-difluorocyclobutyl)-[methylidene-(1-methylpyrazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-chloro-2-pyridinyl)methanone;[(4aS,6S)-6-[2,2-difluoroethyl-[methylidene-(1-methyltriazol-4-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanone

[(4aS,6S)-6-[[(6-chloro-3-pyridinyl)-methylidene-oxo-λ6-sulfanyl]-(2,2-difluoroethyl)amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-chloro-2-pyridinyl)methanone;[(4aS,6S)-6-[[(6-chloro-3-pyridinyl)-methylidene-oxo-λ6-sulfanyl]-(2,2-difluoroethyl)amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aS,6S)-6-[(3,3-difluorocyclobutyl)-[methylidene-(1-methylpyrazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-chloro-2-pyridinyl)methanone;[(4aS,6S)-6-[2,2-difluoroethyl-[methylidene-(1-methyltriazol-4-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanone (PubChem CID 158108341) has the molecular formula C122H107Cl4F16N23O8S5 and a molecular weight of 2629.47 g/mol. Its IUPAC name is [(4aS,6S)-6-[[(6-chloro-3-pyridinyl)-methylidene-oxo-λ6-sulfanyl]-(2,2-difluoroethyl)amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-chloro-2-pyridinyl)methanone;[(4aS,6S)-6-[[(6-chloro-3-pyridinyl)-methylidene-oxo-λ6-sulfanyl]-(2,2-difluoroethyl)amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aS,6S)-6-[(3,3-difluorocyclobutyl)-[methylidene-(1-methylpyrazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-chloro-2-pyridinyl)methanone;[(4aS,6S)-6-[2,2-difluoroethyl-[methylidene-(1-methyltriazol-4-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanone.

Molecular Properties

• Compound Name: [(4aS,6S)-6-[[(6-chloro-3-pyridinyl)-methylidene-oxo-λ6-sulfanyl]-(2,2-difluoroethyl)amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-chloro-2-pyridinyl)methanone;[(4aS,6S)-6-[[(6-chloro-3-pyridinyl)-methylidene-oxo-λ6-sulfanyl]-(2,2-difluoroethyl)amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aS,6S)-6-[(3,3-difluorocyclobutyl)-[methylidene-(1-methylpyrazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-chloro-2-pyridinyl)methanone;[(4aS,6S)-6-[2,2-difluoroethyl-[methylidene-(1-methyltriazol-4-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanone
• PubChem CID: 158108341
• Molecular Formula: C122H107Cl4F16N23O8S5
• Molecular Weight: 2629.47 g/mol
• Exact Mass: 2625.58
• IUPAC Name: [(4aS,6S)-6-[[(6-chloro-3-pyridinyl)-methylidene-oxo-λ6-sulfanyl]-(2,2-difluoroethyl)amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-chloro-2-pyridinyl)methanone;[(4aS,6S)-6-[[(6-chloro-3-pyridinyl)-methylidene-oxo-λ6-sulfanyl]-(2,2-difluoroethyl)amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aS,6S)-6-[(3,3-difluorocyclobutyl)-[methylidene-(1-methylpyrazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-chloro-2-pyridinyl)methanone;[(4aS,6S)-6-[2,2-difluoroethyl-[methylidene-(1-methyltriazol-4-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanone
• SMILES: C=S(=O)(c1ccc(Cl)nc1)N(CC(F)F)[C@H]1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(C(=O)c2cc(Cl)ccn2)C1.C=S(=O)(c1ccc(Cl)nc1)N(CC(F)F)[C@H]1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(C(=O)c2cc(F)ccn2)C1.C=S(=O)(c1ccn(C)n1)N(C1CC(F)(F)C1)[C@H]1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(C(=O)c2cc(Cl)ccn2)C1.C=S(=O)(c1cn(C)nn1)N(CC(F)F)[C@H]1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(C(=O)c2ncc(C(F)(F)F)s2)C1
• InChI: InChI=1S/C32H30ClF3N6O2S.C31H26Cl2F3N5O2S.C31H26ClF4N5O2S.C28H25F6N7O2S2/c1-40-12-10-29(39-40)45(2,44)42(26-17-32(35,36)18-26)25-6-3-21-13-28-20(19-38-41(28)24-7-4-23(34)5-8-24)15-31(21,16-25)30(43)27-14-22(33)9-11-37-27;1-44(43,25-8-9-28(33)38-17-25)40(18-29(35)36)24-5-2-20-12-27-19(16-39-41(27)23-6-3-22(34)4-7-23)14-31(20,15-24)30(42)26-13-21(32)10-11-37-26;1-44(43,25-8-9-28(32)38-17-25)40(18-29(35)36)24-5-2-20-12-27-19(16-39-41(27)23-6-3-21(33)4-7-23)14-31(20,15-24)30(42)26-13-22(34)10-11-37-26;1-39-15-24(37-38-39)45(2,43)40(14-23(30)31)20-6-3-17-9-21-16(12-36-41(21)19-7-4-18(29)5-8-19)10-27(17,11-20)25(42)26-35-13-22(44-26)28(32,33)34/h4-5,7-14,19,25-26H,2-3,6,15-18H2,1H3;2*3-4,6-13,16-17,24,29H,1-2,5,14-15,18H2;4-5,7-9,12-13,15,20,23H,2-3,6,10-11,14H2,1H3/t25-,31-,45?;2*24-,31-,44?;20-,27-,45?/m0000/s1
• InChIKey: FQCNSAVDXIWLLM-ARVQTKQFSA-N
• XLogP: 24.12
• TPSA: 346.67 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 31
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2629.47
LogP ≤ 5	24.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

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 [(4aS,6S)-6-[[(6-chloro-3-pyridinyl)-methylidene-oxo-λ6-sulfanyl]-(2,2-difluoroethyl)amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-chloro-2-pyridinyl)methanone;[(4aS,6S)-6-[[(6-chloro-3-pyridinyl)-methylidene-oxo-λ6-sulfanyl]-(2,2-difluoroethyl)amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aS,6S)-6-[(3,3-difluorocyclobutyl)-[methylidene-(1-methylpyrazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-chloro-2-pyridinyl)methanone;[(4aS,6S)-6-[2,2-difluoroethyl-[methylidene-(1-methyltriazol-4-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanone?

The IUPAC name of [(4aS,6S)-6-[[(6-chloro-3-pyridinyl)-methylidene-oxo-λ6-sulfanyl]-(2,2-difluoroethyl)amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-chloro-2-pyridinyl)methanone;[(4aS,6S)-6-[[(6-chloro-3-pyridinyl)-methylidene-oxo-λ6-sulfanyl]-(2,2-difluoroethyl)amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aS,6S)-6-[(3,3-difluorocyclobutyl)-[methylidene-(1-methylpyrazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-chloro-2-pyridinyl)methanone;[(4aS,6S)-6-[2,2-difluoroethyl-[methylidene-(1-methyltriazol-4-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanone (CID 158108341) is [(4aS,6S)-6-[[(6-chloro-3-pyridinyl)-methylidene-oxo-λ6-sulfanyl]-(2,2-difluoroethyl)amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-chloro-2-pyridinyl)methanone;[(4aS,6S)-6-[[(6-chloro-3-pyridinyl)-methylidene-oxo-λ6-sulfanyl]-(2,2-difluoroethyl)amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aS,6S)-6-[(3,3-difluorocyclobutyl)-[methylidene-(1-methylpyrazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-chloro-2-pyridinyl)methanone;[(4aS,6S)-6-[2,2-difluoroethyl-[methylidene-(1-methyltriazol-4-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanone.

What is the SMILES notation for [(4aS,6S)-6-[[(6-chloro-3-pyridinyl)-methylidene-oxo-λ6-sulfanyl]-(2,2-difluoroethyl)amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-chloro-2-pyridinyl)methanone;[(4aS,6S)-6-[[(6-chloro-3-pyridinyl)-methylidene-oxo-λ6-sulfanyl]-(2,2-difluoroethyl)amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aS,6S)-6-[(3,3-difluorocyclobutyl)-[methylidene-(1-methylpyrazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-chloro-2-pyridinyl)methanone;[(4aS,6S)-6-[2,2-difluoroethyl-[methylidene-(1-methyltriazol-4-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanone?

The canonical SMILES for [(4aS,6S)-6-[[(6-chloro-3-pyridinyl)-methylidene-oxo-λ6-sulfanyl]-(2,2-difluoroethyl)amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-chloro-2-pyridinyl)methanone;[(4aS,6S)-6-[[(6-chloro-3-pyridinyl)-methylidene-oxo-λ6-sulfanyl]-(2,2-difluoroethyl)amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aS,6S)-6-[(3,3-difluorocyclobutyl)-[methylidene-(1-methylpyrazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-chloro-2-pyridinyl)methanone;[(4aS,6S)-6-[2,2-difluoroethyl-[methylidene-(1-methyltriazol-4-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanone is C=S(=O)(c1ccc(Cl)nc1)N(CC(F)F)[C@H]1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(C(=O)c2cc(Cl)ccn2)C1.C=S(=O)(c1ccc(Cl)nc1)N(CC(F)F)[C@H]1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(C(=O)c2cc(F)ccn2)C1.C=S(=O)(c1ccn(C)n1)N(C1CC(F)(F)C1)[C@H]1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(C(=O)c2cc(Cl)ccn2)C1.C=S(=O)(c1cn(C)nn1)N(CC(F)F)[C@H]1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(C(=O)c2ncc(C(F)(F)F)s2)C1.

What is the InChIKey of [(4aS,6S)-6-[[(6-chloro-3-pyridinyl)-methylidene-oxo-λ6-sulfanyl]-(2,2-difluoroethyl)amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-chloro-2-pyridinyl)methanone;[(4aS,6S)-6-[[(6-chloro-3-pyridinyl)-methylidene-oxo-λ6-sulfanyl]-(2,2-difluoroethyl)amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aS,6S)-6-[(3,3-difluorocyclobutyl)-[methylidene-(1-methylpyrazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-chloro-2-pyridinyl)methanone;[(4aS,6S)-6-[2,2-difluoroethyl-[methylidene-(1-methyltriazol-4-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanone?

The InChIKey is FQCNSAVDXIWLLM-ARVQTKQFSA-N. The full InChI is InChI=1S/C32H30ClF3N6O2S.C31H26Cl2F3N5O2S.C31H26ClF4N5O2S.C28H25F6N7O2S2/c1-40-12-10-29(39-40)45(2,44)42(26-17-32(35,36)18-26)25-6-3-21-13-28-20(19-38-41(28)24-7-4-23(34)5-8-24)15-31(21,16-25)30(43)27-14-22(33)9-11-37-27;1-44(43,25-8-9-28(33)38-17-25)40(18-29(35)36)24-5-2-20-12-27-19(16-39-41(27)23-6-3-22(34)4-7-23)14-31(20,15-24)30(42)26-13-21(32)10-11-37-26;1-44(43,25-8-9-28(32)38-17-25)40(18-29(35)36)24-5-2-20-12-27-19(16-39-41(27)23-6-3-21(33)4-7-23)14-31(20,15-24)30(42)26-13-22(34)10-11-37-26;1-39-15-24(37-38-39)45(2,43)40(14-23(30)31)20-6-3-17-9-21-16(12-36-41(21)19-7-4-18(29)5-8-19)10-27(17,11-20)25(42)26-35-13-22(44-26)28(32,33)34/h4-5,7-14,19,25-26H,2-3,6,15-18H2,1H3;2*3-4,6-13,16-17,24,29H,1-2,5,14-15,18H2;4-5,7-9,12-13,15,20,23H,2-3,6,10-11,14H2,1H3/t25-,31-,45?;2*24-,31-,44?;20-,27-,45?/m0000/s1.

What are the key properties of [(4aS,6S)-6-[[(6-chloro-3-pyridinyl)-methylidene-oxo-λ6-sulfanyl]-(2,2-difluoroethyl)amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-chloro-2-pyridinyl)methanone;[(4aS,6S)-6-[[(6-chloro-3-pyridinyl)-methylidene-oxo-λ6-sulfanyl]-(2,2-difluoroethyl)amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aS,6S)-6-[(3,3-difluorocyclobutyl)-[methylidene-(1-methylpyrazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-chloro-2-pyridinyl)methanone;[(4aS,6S)-6-[2,2-difluoroethyl-[methylidene-(1-methyltriazol-4-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanone?

[(4aS,6S)-6-[[(6-chloro-3-pyridinyl)-methylidene-oxo-λ6-sulfanyl]-(2,2-difluoroethyl)amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-chloro-2-pyridinyl)methanone;[(4aS,6S)-6-[[(6-chloro-3-pyridinyl)-methylidene-oxo-λ6-sulfanyl]-(2,2-difluoroethyl)amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aS,6S)-6-[(3,3-difluorocyclobutyl)-[methylidene-(1-methylpyrazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-chloro-2-pyridinyl)methanone;[(4aS,6S)-6-[2,2-difluoroethyl-[methylidene-(1-methyltriazol-4-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanone has a molecular weight of 2629.47 g/mol, XLogP of 24.12, 31 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for [(4aS,6S)-6-[[(6-chloro-3-pyridinyl)-methylidene-oxo-λ6-sulfanyl]-(2,2-difluoroethyl)amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-chloro-2-pyridinyl)methanone;[(4aS,6S)-6-[[(6-chloro-3-pyridinyl)-methylidene-oxo-λ6-sulfanyl]-(2,2-difluoroethyl)amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-fluoro-2-pyridinyl)methanone;[(4aS,6S)-6-[(3,3-difluorocyclobutyl)-[methylidene-(1-methylpyrazol-3-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-(4-chloro-2-pyridinyl)methanone;[(4aS,6S)-6-[2,2-difluoroethyl-[methylidene-(1-methyltriazol-4-yl)-oxo-λ6-sulfanyl]amino]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-4a-yl]-[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanone is sourced from PubChem (CID 158108341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).