11-chloro-5-(1,4-dimethylpyrazol-5-yl)-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-chloro-5-(1,4-dimethylpyrazol-5-yl)-8-[(R)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[5-(2,4-dimethylfuran-3-yl)-8-[(4-fluorophenyl)-(oxan-4-yl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;5-(3,5-dimethylimidazol-4-yl)-8-[(3-fluorophenyl)-(oxan-4-yl)methyl]-11-methoxy-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(3,5-dimethylimidazol-4-yl)-11-methoxy-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C141H141Cl2F2N23O9 — CID 159211999

IUPAC11-chloro-5-(1,4-dimethylpyrazol-5-yl)-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-chloro-5-(1,4-dimethylpyrazol-5-yl)-8-[(R)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[5-(2,4-dimethylfuran-3-yl)-8-[(4-fluorophenyl)-(oxan-4-yl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;5-(3,5-dimethylimidazol-4-yl)-8-[(3-fluorophenyl)-(oxan-4-yl)methyl]-11-methoxy-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(3,5-dimethylimidazol-4-yl)-11-methoxy-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCOc1ccc2c3ncc(-c4c(C)ncn4C)cc3n(C(c3cccc(F)c3)C3CCOCC3)c2n1.COc1ccc2c3ncc(-c4c(C)ncn4C)cc3n([C@H](c3ccccc3)C3CCOCC3)c2n1.Cc1cnn(C)c1-c1cnc2c3ccc(Cl)nc3n([C@@H](c3ccccc3)C3CCOCC3)c2c1.Cc1cnn(C)c1-c1cnc2c3ccc(Cl)nc3n([C@H](c3ccccc3)C3CCOCC3)c2c1.Cc1coc(C)c1-c1cnc2c3cnc(C(C)(C)O)cc3n(C(c3ccc(F)cc3)C3CCOCC3)c2c1
InChIInChI=1S/C31H32FN3O3.C28H28FN5O2.C28H29N5O2.2C27H26ClN5O/c1-18-17-38-19(2)28(18)22-13-26-29(34-15-22)24-16-33-27(31(3,4)36)14-25(24)35(26)30(21-9-11-37-12-10-21)20-5-7-23(32)8-6-20;1-17-26(33(2)16-31-17)20-14-23-25(30-15-20)22-7-8-24(35-3)32-28(22)34(23)27(18-9-11-36-12-10-18)19-5-4-6-21(29)13-19;1-18-26(32(2)17-30-18)21-15-23-25(29-16-21)22-9-10-24(34-3)31-28(22)33(23)27(19-7-5-4-6-8-19)20-11-13-35-14-12-20;2*1-17-15-30-32(2)25(17)20-14-22-24(29-16-20)21-8-9-23(28)31-27(21)33(22)26(18-6-4-3-5-7-18)19-10-12-34-13-11-19/h5-8,13-17,21,30,36H,9-12H2,1-4H3;4-8,13-16,18,27H,9-12H2,1-3H3;4-10,15-17,20,27H,11-14H2,1-3H3;2*3-9,14-16,19,26H,10-13H2,1-2H3/t;;27-;2*26-/m..110/s1
InChIKeyKQPJUVDBTMUCSJ-RANAQWMQSA-N
MW2410.73 g/mol
LogP29.54
Rot. Bonds23

About 11-chloro-5-(1,4-dimethylpyrazol-5-yl)-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-chloro-5-(1,4-dimethylpyrazol-5-yl)-8-[(R)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[5-(2,4-dimethylfuran-3-yl)-8-[(4-fluorophenyl)-(oxan-4-yl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;5-(3,5-dimethylimidazol-4-yl)-8-[(3-fluorophenyl)-(oxan-4-yl)methyl]-11-methoxy-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(3,5-dimethylimidazol-4-yl)-11-methoxy-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

11-chloro-5-(1,4-dimethylpyrazol-5-yl)-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-chloro-5-(1,4-dimethylpyrazol-5-yl)-8-[(R)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[5-(2,4-dimethylfuran-3-yl)-8-[(4-fluorophenyl)-(oxan-4-yl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;5-(3,5-dimethylimidazol-4-yl)-8-[(3-fluorophenyl)-(oxan-4-yl)methyl]-11-methoxy-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(3,5-dimethylimidazol-4-yl)-11-methoxy-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 159211999) has the molecular formula C141H141Cl2F2N23O9 and a molecular weight of 2410.73 g/mol. Its IUPAC name is 11-chloro-5-(1,4-dimethylpyrazol-5-yl)-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-chloro-5-(1,4-dimethylpyrazol-5-yl)-8-[(R)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[5-(2,4-dimethylfuran-3-yl)-8-[(4-fluorophenyl)-(oxan-4-yl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;5-(3,5-dimethylimidazol-4-yl)-8-[(3-fluorophenyl)-(oxan-4-yl)methyl]-11-methoxy-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(3,5-dimethylimidazol-4-yl)-11-methoxy-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name11-chloro-5-(1,4-dimethylpyrazol-5-yl)-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-chloro-5-(1,4-dimethylpyrazol-5-yl)-8-[(R)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[5-(2,4-dimethylfuran-3-yl)-8-[(4-fluorophenyl)-(oxan-4-yl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;5-(3,5-dimethylimidazol-4-yl)-8-[(3-fluorophenyl)-(oxan-4-yl)methyl]-11-methoxy-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(3,5-dimethylimidazol-4-yl)-11-methoxy-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID159211999
Molecular FormulaC141H141Cl2F2N23O9
Molecular Weight2410.73 g/mol
Exact Mass2408.06
IUPAC Name11-chloro-5-(1,4-dimethylpyrazol-5-yl)-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-chloro-5-(1,4-dimethylpyrazol-5-yl)-8-[(R)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[5-(2,4-dimethylfuran-3-yl)-8-[(4-fluorophenyl)-(oxan-4-yl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;5-(3,5-dimethylimidazol-4-yl)-8-[(3-fluorophenyl)-(oxan-4-yl)methyl]-11-methoxy-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(3,5-dimethylimidazol-4-yl)-11-methoxy-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCOc1ccc2c3ncc(-c4c(C)ncn4C)cc3n(C(c3cccc(F)c3)C3CCOCC3)c2n1.COc1ccc2c3ncc(-c4c(C)ncn4C)cc3n([C@H](c3ccccc3)C3CCOCC3)c2n1.Cc1cnn(C)c1-c1cnc2c3ccc(Cl)nc3n([C@@H](c3ccccc3)C3CCOCC3)c2c1.Cc1cnn(C)c1-c1cnc2c3ccc(Cl)nc3n([C@H](c3ccccc3)C3CCOCC3)c2c1.Cc1coc(C)c1-c1cnc2c3cnc(C(C)(C)O)cc3n(C(c3ccc(F)cc3)C3CCOCC3)c2c1
InChIInChI=1S/C31H32FN3O3.C28H28FN5O2.C28H29N5O2.2C27H26ClN5O/c1-18-17-38-19(2)28(18)22-13-26-29(34-15-22)24-16-33-27(31(3,4)36)14-25(24)35(26)30(21-9-11-37-12-10-21)20-5-7-23(32)8-6-20;1-17-26(33(2)16-31-17)20-14-23-25(30-15-20)22-7-8-24(35-3)32-28(22)34(23)27(18-9-11-36-12-10-18)19-5-4-6-21(29)13-19;1-18-26(32(2)17-30-18)21-15-23-25(29-16-21)22-9-10-24(34-3)31-28(22)33(23)27(19-7-5-4-6-8-19)20-11-13-35-14-12-20;2*1-17-15-30-32(2)25(17)20-14-22-24(29-16-20)21-8-9-23(28)31-27(21)33(22)26(18-6-4-3-5-7-18)19-10-12-34-13-11-19/h5-8,13-17,21,30,36H,9-12H2,1-4H3;4-8,13-16,18,27H,9-12H2,1-3H3;4-10,15-17,20,27H,11-14H2,1-3H3;2*3-9,14-16,19,26H,10-13H2,1-2H3/t;;27-;2*26-/m..110/s1
InChIKeyKQPJUVDBTMUCSJ-RANAQWMQSA-N
XLogP29.54
TPSA322.81 Ų
H-Bond Donors1
H-Bond Acceptors32
Rotatable Bonds23
Heavy Atoms177
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002410.73
LogP ≤ 529.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 11-chloro-5-(1,4-dimethylpyrazol-5-yl)-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-chloro-5-(1,4-dimethylpyrazol-5-yl)-8-[(R)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[5-(2,4-dimethylfuran-3-yl)-8-[(4-fluorophenyl)-(oxan-4-yl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;5-(3,5-dimethylimidazol-4-yl)-8-[(3-fluorophenyl)-(oxan-4-yl)methyl]-11-methoxy-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(3,5-dimethylimidazol-4-yl)-11-methoxy-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-chloro-5-(1,4-dimethylpyrazol-5-yl)-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-chloro-5-(1,4-dimethylpyrazol-5-yl)-8-[(R)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[5-(2,4-dimethylfuran-3-yl)-8-[(4-fluorophenyl)-(oxan-4-yl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;5-(3,5-dimethylimidazol-4-yl)-8-[(3-fluorophenyl)-(oxan-4-yl)methyl]-11-methoxy-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(3,5-dimethylimidazol-4-yl)-11-methoxy-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 11-chloro-5-(1,4-dimethylpyrazol-5-yl)-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-chloro-5-(1,4-dimethylpyrazol-5-yl)-8-[(R)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[5-(2,4-dimethylfuran-3-yl)-8-[(4-fluorophenyl)-(oxan-4-yl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;5-(3,5-dimethylimidazol-4-yl)-8-[(3-fluorophenyl)-(oxan-4-yl)methyl]-11-methoxy-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(3,5-dimethylimidazol-4-yl)-11-methoxy-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 159211999) is 11-chloro-5-(1,4-dimethylpyrazol-5-yl)-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-chloro-5-(1,4-dimethylpyrazol-5-yl)-8-[(R)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[5-(2,4-dimethylfuran-3-yl)-8-[(4-fluorophenyl)-(oxan-4-yl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;5-(3,5-dimethylimidazol-4-yl)-8-[(3-fluorophenyl)-(oxan-4-yl)methyl]-11-methoxy-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(3,5-dimethylimidazol-4-yl)-11-methoxy-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 11-chloro-5-(1,4-dimethylpyrazol-5-yl)-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-chloro-5-(1,4-dimethylpyrazol-5-yl)-8-[(R)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[5-(2,4-dimethylfuran-3-yl)-8-[(4-fluorophenyl)-(oxan-4-yl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;5-(3,5-dimethylimidazol-4-yl)-8-[(3-fluorophenyl)-(oxan-4-yl)methyl]-11-methoxy-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(3,5-dimethylimidazol-4-yl)-11-methoxy-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 11-chloro-5-(1,4-dimethylpyrazol-5-yl)-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-chloro-5-(1,4-dimethylpyrazol-5-yl)-8-[(R)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[5-(2,4-dimethylfuran-3-yl)-8-[(4-fluorophenyl)-(oxan-4-yl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;5-(3,5-dimethylimidazol-4-yl)-8-[(3-fluorophenyl)-(oxan-4-yl)methyl]-11-methoxy-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(3,5-dimethylimidazol-4-yl)-11-methoxy-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is COc1ccc2c3ncc(-c4c(C)ncn4C)cc3n(C(c3cccc(F)c3)C3CCOCC3)c2n1.COc1ccc2c3ncc(-c4c(C)ncn4C)cc3n([C@H](c3ccccc3)C3CCOCC3)c2n1.Cc1cnn(C)c1-c1cnc2c3ccc(Cl)nc3n([C@@H](c3ccccc3)C3CCOCC3)c2c1.Cc1cnn(C)c1-c1cnc2c3ccc(Cl)nc3n([C@H](c3ccccc3)C3CCOCC3)c2c1.Cc1coc(C)c1-c1cnc2c3cnc(C(C)(C)O)cc3n(C(c3ccc(F)cc3)C3CCOCC3)c2c1.
What is the InChIKey of 11-chloro-5-(1,4-dimethylpyrazol-5-yl)-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-chloro-5-(1,4-dimethylpyrazol-5-yl)-8-[(R)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[5-(2,4-dimethylfuran-3-yl)-8-[(4-fluorophenyl)-(oxan-4-yl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;5-(3,5-dimethylimidazol-4-yl)-8-[(3-fluorophenyl)-(oxan-4-yl)methyl]-11-methoxy-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(3,5-dimethylimidazol-4-yl)-11-methoxy-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is KQPJUVDBTMUCSJ-RANAQWMQSA-N. The full InChI is InChI=1S/C31H32FN3O3.C28H28FN5O2.C28H29N5O2.2C27H26ClN5O/c1-18-17-38-19(2)28(18)22-13-26-29(34-15-22)24-16-33-27(31(3,4)36)14-25(24)35(26)30(21-9-11-37-12-10-21)20-5-7-23(32)8-6-20;1-17-26(33(2)16-31-17)20-14-23-25(30-15-20)22-7-8-24(35-3)32-28(22)34(23)27(18-9-11-36-12-10-18)19-5-4-6-21(29)13-19;1-18-26(32(2)17-30-18)21-15-23-25(29-16-21)22-9-10-24(34-3)31-28(22)33(23)27(19-7-5-4-6-8-19)20-11-13-35-14-12-20;2*1-17-15-30-32(2)25(17)20-14-22-24(29-16-20)21-8-9-23(28)31-27(21)33(22)26(18-6-4-3-5-7-18)19-10-12-34-13-11-19/h5-8,13-17,21,30,36H,9-12H2,1-4H3;4-8,13-16,18,27H,9-12H2,1-3H3;4-10,15-17,20,27H,11-14H2,1-3H3;2*3-9,14-16,19,26H,10-13H2,1-2H3/t;;27-;2*26-/m..110/s1.
What are the key properties of 11-chloro-5-(1,4-dimethylpyrazol-5-yl)-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-chloro-5-(1,4-dimethylpyrazol-5-yl)-8-[(R)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[5-(2,4-dimethylfuran-3-yl)-8-[(4-fluorophenyl)-(oxan-4-yl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;5-(3,5-dimethylimidazol-4-yl)-8-[(3-fluorophenyl)-(oxan-4-yl)methyl]-11-methoxy-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(3,5-dimethylimidazol-4-yl)-11-methoxy-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
11-chloro-5-(1,4-dimethylpyrazol-5-yl)-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-chloro-5-(1,4-dimethylpyrazol-5-yl)-8-[(R)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[5-(2,4-dimethylfuran-3-yl)-8-[(4-fluorophenyl)-(oxan-4-yl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;5-(3,5-dimethylimidazol-4-yl)-8-[(3-fluorophenyl)-(oxan-4-yl)methyl]-11-methoxy-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(3,5-dimethylimidazol-4-yl)-11-methoxy-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 2410.73 g/mol, XLogP of 29.54, 23 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-5-(1,4-dimethylpyrazol-5-yl)-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-chloro-5-(1,4-dimethylpyrazol-5-yl)-8-[(R)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[5-(2,4-dimethylfuran-3-yl)-8-[(4-fluorophenyl)-(oxan-4-yl)methyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-11-yl]propan-2-ol;5-(3,5-dimethylimidazol-4-yl)-8-[(3-fluorophenyl)-(oxan-4-yl)methyl]-11-methoxy-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-(3,5-dimethylimidazol-4-yl)-11-methoxy-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 159211999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).