5-[(E)-2-(2-chloro-4-methoxyphenyl)-2-cyclobutyl-1-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethoxy]phenyl]ethenyl]-3-fluoro-2H-indazole;5-[(E)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclobutyl-1-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethoxy]phenyl]ethenyl]-3-fluoro-2H-indazole;(5R,6S)-5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;4-[(Z)-1-[4-[(2S)-2-[(3R)-3-ethylpyrrolidin-1-yl]propoxy]phenyl]-2-phenylbut-1-enyl]phenol;methane

C128H144Cl2F5N9O7 — CID 160833078

IUPAC5-[(E)-2-(2-chloro-4-methoxyphenyl)-2-cyclobutyl-1-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethoxy]phenyl]ethenyl]-3-fluoro-2H-indazole;5-[(E)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclobutyl-1-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethoxy]phenyl]ethenyl]-3-fluoro-2H-indazole;(5R,6S)-5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;4-[(Z)-1-[4-[(2S)-2-[(3R)-3-ethylpyrrolidin-1-yl]propoxy]phenyl]-2-phenylbut-1-enyl]phenol;methane
SMILESC.CC/C(=C(\c1ccc(O)cc1)c1ccc(OC[C@H](C)N2CC[C@@H](CC)C2)cc1)c1ccccc1.CCC1CN(CCOc2ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccccc3)cc2)C1.CC[C@@H]1CCN(CCOc2ccc(/C(=C(\c3ccc(OC)cc3Cl)C3CCC3)c3ccc4n[nH]c(F)c4c3)cc2)C1.CC[C@@H]1CCN(CCOc2ccc(/C(=C(\c3ncc(C(F)(F)F)cc3Cl)C3CCC3)c3ccc4n[nH]c(F)c4c3)cc2)C1
InChIInChI=1S/C34H37ClFN3O2.C33H33ClF4N4O.C31H37NO2.C29H33NO2.CH4/c1-3-22-15-16-39(21-22)17-18-41-26-10-7-24(8-11-26)32(25-9-14-31-29(19-25)34(36)38-37-31)33(23-5-4-6-23)28-13-12-27(40-2)20-30(28)35;1-2-20-12-13-42(19-20)14-15-43-25-9-6-22(7-10-25)29(23-8-11-28-26(16-23)32(35)41-40-28)30(21-4-3-5-21)31-27(34)17-24(18-39-31)33(36,37)38;1-4-24-19-20-32(21-24)23(3)22-34-29-17-13-27(14-18-29)31(26-11-15-28(33)16-12-26)30(5-2)25-9-7-6-8-10-25;1-2-21-19-30(20-21)16-17-32-26-12-8-23(9-13-26)29-27(22-6-4-3-5-7-22)14-10-24-18-25(31)11-15-28(24)29;/h7-14,19-20,22-23H,3-6,15-18,21H2,1-2H3,(H,37,38);6-11,16-18,20-21H,2-5,12-15,19H2,1H3,(H,40,41);6-18,23-24,33H,4-5,19-22H2,1-3H3;3-9,11-13,15,18,21,27,29,31H,2,10,14,16-17,19-20H2,1H3;1H4/b33-32+;30-29+;31-30-;;/t22-;20-;23-,24+;27-,29+;/m1101./s1
InChIKeySHBAVPSTBSCECE-ADUSVUGHSA-N
MW2086.51 g/mol
LogP30.74
Rot. Bonds35

About 5-[(E)-2-(2-chloro-4-methoxyphenyl)-2-cyclobutyl-1-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethoxy]phenyl]ethenyl]-3-fluoro-2H-indazole;5-[(E)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclobutyl-1-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethoxy]phenyl]ethenyl]-3-fluoro-2H-indazole;(5R,6S)-5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;4-[(Z)-1-[4-[(2S)-2-[(3R)-3-ethylpyrrolidin-1-yl]propoxy]phenyl]-2-phenylbut-1-enyl]phenol;methane

5-[(E)-2-(2-chloro-4-methoxyphenyl)-2-cyclobutyl-1-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethoxy]phenyl]ethenyl]-3-fluoro-2H-indazole;5-[(E)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclobutyl-1-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethoxy]phenyl]ethenyl]-3-fluoro-2H-indazole;(5R,6S)-5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;4-[(Z)-1-[4-[(2S)-2-[(3R)-3-ethylpyrrolidin-1-yl]propoxy]phenyl]-2-phenylbut-1-enyl]phenol;methane (PubChem CID 160833078) has the molecular formula C128H144Cl2F5N9O7 and a molecular weight of 2086.51 g/mol. Its IUPAC name is 5-[(E)-2-(2-chloro-4-methoxyphenyl)-2-cyclobutyl-1-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethoxy]phenyl]ethenyl]-3-fluoro-2H-indazole;5-[(E)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclobutyl-1-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethoxy]phenyl]ethenyl]-3-fluoro-2H-indazole;(5R,6S)-5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;4-[(Z)-1-[4-[(2S)-2-[(3R)-3-ethylpyrrolidin-1-yl]propoxy]phenyl]-2-phenylbut-1-enyl]phenol;methane.

Molecular Properties

Compound Name5-[(E)-2-(2-chloro-4-methoxyphenyl)-2-cyclobutyl-1-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethoxy]phenyl]ethenyl]-3-fluoro-2H-indazole;5-[(E)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclobutyl-1-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethoxy]phenyl]ethenyl]-3-fluoro-2H-indazole;(5R,6S)-5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;4-[(Z)-1-[4-[(2S)-2-[(3R)-3-ethylpyrrolidin-1-yl]propoxy]phenyl]-2-phenylbut-1-enyl]phenol;methane
PubChem CID160833078
Molecular FormulaC128H144Cl2F5N9O7
Molecular Weight2086.51 g/mol
Exact Mass2084.05
IUPAC Name5-[(E)-2-(2-chloro-4-methoxyphenyl)-2-cyclobutyl-1-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethoxy]phenyl]ethenyl]-3-fluoro-2H-indazole;5-[(E)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclobutyl-1-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethoxy]phenyl]ethenyl]-3-fluoro-2H-indazole;(5R,6S)-5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;4-[(Z)-1-[4-[(2S)-2-[(3R)-3-ethylpyrrolidin-1-yl]propoxy]phenyl]-2-phenylbut-1-enyl]phenol;methane
SMILESC.CC/C(=C(\c1ccc(O)cc1)c1ccc(OC[C@H](C)N2CC[C@@H](CC)C2)cc1)c1ccccc1.CCC1CN(CCOc2ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccccc3)cc2)C1.CC[C@@H]1CCN(CCOc2ccc(/C(=C(\c3ccc(OC)cc3Cl)C3CCC3)c3ccc4n[nH]c(F)c4c3)cc2)C1.CC[C@@H]1CCN(CCOc2ccc(/C(=C(\c3ncc(C(F)(F)F)cc3Cl)C3CCC3)c3ccc4n[nH]c(F)c4c3)cc2)C1
InChIInChI=1S/C34H37ClFN3O2.C33H33ClF4N4O.C31H37NO2.C29H33NO2.CH4/c1-3-22-15-16-39(21-22)17-18-41-26-10-7-24(8-11-26)32(25-9-14-31-29(19-25)34(36)38-37-31)33(23-5-4-6-23)28-13-12-27(40-2)20-30(28)35;1-2-20-12-13-42(19-20)14-15-43-25-9-6-22(7-10-25)29(23-8-11-28-26(16-23)32(35)41-40-28)30(21-4-3-5-21)31-27(34)17-24(18-39-31)33(36,37)38;1-4-24-19-20-32(21-24)23(3)22-34-29-17-13-27(14-18-29)31(26-11-15-28(33)16-12-26)30(5-2)25-9-7-6-8-10-25;1-2-21-19-30(20-21)16-17-32-26-12-8-23(9-13-26)29-27(22-6-4-3-5-7-22)14-10-24-18-25(31)11-15-28(24)29;/h7-14,19-20,22-23H,3-6,15-18,21H2,1-2H3,(H,37,38);6-11,16-18,20-21H,2-5,12-15,19H2,1H3,(H,40,41);6-18,23-24,33H,4-5,19-22H2,1-3H3;3-9,11-13,15,18,21,27,29,31H,2,10,14,16-17,19-20H2,1H3;1H4/b33-32+;30-29+;31-30-;;/t22-;20-;23-,24+;27-,29+;/m1101./s1
InChIKeySHBAVPSTBSCECE-ADUSVUGHSA-N
XLogP30.74
TPSA169.82 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds35
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002086.51
LogP ≤ 530.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 5-[(E)-2-(2-chloro-4-methoxyphenyl)-2-cyclobutyl-1-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethoxy]phenyl]ethenyl]-3-fluoro-2H-indazole;5-[(E)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclobutyl-1-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethoxy]phenyl]ethenyl]-3-fluoro-2H-indazole;(5R,6S)-5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;4-[(Z)-1-[4-[(2S)-2-[(3R)-3-ethylpyrrolidin-1-yl]propoxy]phenyl]-2-phenylbut-1-enyl]phenol;methane with MolForge

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Related Compounds

but-2-yn-1-ol;3-chloro-5-methylphenol;3,6-dimethyl-2H-indazole;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-fluoro-3-methylbenzene;2-fluoro-4-methylphenol;2-fluoro-5-methylphenol;3-fluoro-5-methylphenol;1-methoxy-3-methylbenzene;bis(4-methyl-1H-indazole);6-methyl-1H-indazole;2-methylpent-3-yn-2-ol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;(3-methylphenyl)methanol;4-methyl-1H-pyrazole;3-methylpyridine;pentane;3,4,5-trimethyl-1H-pyrazole;bis(1,3-xylene)
CID 157457266
but-2-yn-1-ol;3-chloro-5-methylphenol;3,6-dimethyl-2H-indazole;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-fluoro-3-methylbenzene;2-fluoro-4-methylphenol;2-fluoro-5-methylphenol;3-fluoro-5-methylphenol;5-fluoro-2-methylphenol;1-methoxy-3-methylbenzene;4-methyl-1H-indazole;6-methyl-1H-indazole;2-methylpent-3-yn-2-ol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;(3-methylphenyl)methanol;4-methyl-1H-pyrazole;3-methylpyridine;pentane;3,4,5-trimethyl-1H-pyrazole;bis(1,3-xylene)
CID 157534800
but-2-yn-1-ol;3-chloro-5-methylphenol;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-fluoro-3-methylbenzene;2-fluoro-4-methylphenol;2-fluoro-5-methylphenol;3-fluoro-5-methylphenol;1-methoxy-3-methylbenzene;bis(4-methyl-1H-indazole);6-methyl-1H-indazole;2-methylpent-3-yn-2-ol;3-methylphenol;(2-methylphenyl)methanol;(3-methylphenyl)methanol;4-methyl-1H-pyrazole;3-methylpyridine;pentane;3,4,5-trimethyl-1H-pyrazole;bis(1,3-xylene)
CID 159093761
butan-1-ol;but-2-yn-1-ol;3-chloro-5-methylphenol;3,6-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-fluoro-3-methylbenzene;2-fluoro-4-methylphenol;2-fluoro-5-methylphenol;3-fluoro-5-methylphenol;5-fluoro-2-methylphenol;1-methoxy-3-methylbenzene;3-methylaniline;bis(4-methyl-1H-indazole);6-methyl-1H-indazole;2-methylpent-3-yn-2-ol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;(3-methylphenyl)methanol;4-methyl-1H-pyrazole;3-methylpyridine;3,4,5-trimethyl-1H-pyrazole;bis(1,3-xylene)
CID 159181744
butan-1-ol;but-2-yn-1-ol;3-chloro-5-methylphenol;3,6-dimethyl-2,3-dihydro-1H-indole;3,6-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;2-fluoro-1,4-dimethylbenzene;1-fluoro-3-methoxy-5-methylbenzene;1-fluoro-3-methylbenzene;2-fluoro-4-methylphenol;2-fluoro-5-methylphenol;3-fluoro-5-methylphenol;5-fluoro-2-methylphenol;1-methoxy-3-methylbenzene;3-methylaniline;bis(4-methyl-1H-indazole);6-methyl-1H-indazole;2-methylpent-3-yn-2-ol;3-methylphenol;4-methylphenol;(2-methylphenyl)methanol;(3-methylphenyl)methanol;4-methyl-1H-pyrazole;3-methylpyridine;3,4,5-trimethyl-1H-pyrazole;bis(1,3-xylene)
CID 159564197
5-[(E)-2-(2-chloro-4-methylphenyl)-1-(4-propan-2-yloxyphenyl)but-1-enyl]-1H-indazole;(3R)-1-(2,6-difluoro-4-propan-2-yloxyphenyl)-2-(2,2-dimethylpropyl)-3-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine;1-[(Z)-1,2-diphenylpent-1-enyl]-4-(2-propan-2-yloxyethoxy)benzene;5-[(E)-2-(2-fluoro-4-methylphenyl)-1-(4-propan-2-yloxyphenyl)but-1-enyl]-1H-indazole;3-methyl-2-(4-methylphenyl)-1-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]indol-5-ol
CID 160526025
tert-butylbenzene;4-tert-butyl-2-chloro-3-(1-fluoroethyl)aniline;4-tert-butyl-5-chloro-6-fluoro-1H-indazole;1-tert-butyl-2-chloro-3-methylbenzene;4-tert-butyl-2,3-dihydro-1-benzofuran;bis(1-tert-butyl-2,3-dimethylbenzene);4-tert-butyl-5,6-dimethyl-1H-indazole;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;7-tert-butyl-1H-indene;3-tert-butyl-4-iodophenol;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;prop-1-ene
CID 167704220

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(2-chloro-4-methoxyphenyl)-2-cyclobutyl-1-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethoxy]phenyl]ethenyl]-3-fluoro-2H-indazole;5-[(E)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclobutyl-1-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethoxy]phenyl]ethenyl]-3-fluoro-2H-indazole;(5R,6S)-5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;4-[(Z)-1-[4-[(2S)-2-[(3R)-3-ethylpyrrolidin-1-yl]propoxy]phenyl]-2-phenylbut-1-enyl]phenol;methane?
The IUPAC name of 5-[(E)-2-(2-chloro-4-methoxyphenyl)-2-cyclobutyl-1-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethoxy]phenyl]ethenyl]-3-fluoro-2H-indazole;5-[(E)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclobutyl-1-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethoxy]phenyl]ethenyl]-3-fluoro-2H-indazole;(5R,6S)-5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;4-[(Z)-1-[4-[(2S)-2-[(3R)-3-ethylpyrrolidin-1-yl]propoxy]phenyl]-2-phenylbut-1-enyl]phenol;methane (CID 160833078) is 5-[(E)-2-(2-chloro-4-methoxyphenyl)-2-cyclobutyl-1-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethoxy]phenyl]ethenyl]-3-fluoro-2H-indazole;5-[(E)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclobutyl-1-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethoxy]phenyl]ethenyl]-3-fluoro-2H-indazole;(5R,6S)-5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;4-[(Z)-1-[4-[(2S)-2-[(3R)-3-ethylpyrrolidin-1-yl]propoxy]phenyl]-2-phenylbut-1-enyl]phenol;methane.
What is the SMILES notation for 5-[(E)-2-(2-chloro-4-methoxyphenyl)-2-cyclobutyl-1-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethoxy]phenyl]ethenyl]-3-fluoro-2H-indazole;5-[(E)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclobutyl-1-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethoxy]phenyl]ethenyl]-3-fluoro-2H-indazole;(5R,6S)-5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;4-[(Z)-1-[4-[(2S)-2-[(3R)-3-ethylpyrrolidin-1-yl]propoxy]phenyl]-2-phenylbut-1-enyl]phenol;methane?
The canonical SMILES for 5-[(E)-2-(2-chloro-4-methoxyphenyl)-2-cyclobutyl-1-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethoxy]phenyl]ethenyl]-3-fluoro-2H-indazole;5-[(E)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclobutyl-1-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethoxy]phenyl]ethenyl]-3-fluoro-2H-indazole;(5R,6S)-5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;4-[(Z)-1-[4-[(2S)-2-[(3R)-3-ethylpyrrolidin-1-yl]propoxy]phenyl]-2-phenylbut-1-enyl]phenol;methane is C.CC/C(=C(\c1ccc(O)cc1)c1ccc(OC[C@H](C)N2CC[C@@H](CC)C2)cc1)c1ccccc1.CCC1CN(CCOc2ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccccc3)cc2)C1.CC[C@@H]1CCN(CCOc2ccc(/C(=C(\c3ccc(OC)cc3Cl)C3CCC3)c3ccc4n[nH]c(F)c4c3)cc2)C1.CC[C@@H]1CCN(CCOc2ccc(/C(=C(\c3ncc(C(F)(F)F)cc3Cl)C3CCC3)c3ccc4n[nH]c(F)c4c3)cc2)C1.
What is the InChIKey of 5-[(E)-2-(2-chloro-4-methoxyphenyl)-2-cyclobutyl-1-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethoxy]phenyl]ethenyl]-3-fluoro-2H-indazole;5-[(E)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclobutyl-1-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethoxy]phenyl]ethenyl]-3-fluoro-2H-indazole;(5R,6S)-5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;4-[(Z)-1-[4-[(2S)-2-[(3R)-3-ethylpyrrolidin-1-yl]propoxy]phenyl]-2-phenylbut-1-enyl]phenol;methane?
The InChIKey is SHBAVPSTBSCECE-ADUSVUGHSA-N. The full InChI is InChI=1S/C34H37ClFN3O2.C33H33ClF4N4O.C31H37NO2.C29H33NO2.CH4/c1-3-22-15-16-39(21-22)17-18-41-26-10-7-24(8-11-26)32(25-9-14-31-29(19-25)34(36)38-37-31)33(23-5-4-6-23)28-13-12-27(40-2)20-30(28)35;1-2-20-12-13-42(19-20)14-15-43-25-9-6-22(7-10-25)29(23-8-11-28-26(16-23)32(35)41-40-28)30(21-4-3-5-21)31-27(34)17-24(18-39-31)33(36,37)38;1-4-24-19-20-32(21-24)23(3)22-34-29-17-13-27(14-18-29)31(26-11-15-28(33)16-12-26)30(5-2)25-9-7-6-8-10-25;1-2-21-19-30(20-21)16-17-32-26-12-8-23(9-13-26)29-27(22-6-4-3-5-7-22)14-10-24-18-25(31)11-15-28(24)29;/h7-14,19-20,22-23H,3-6,15-18,21H2,1-2H3,(H,37,38);6-11,16-18,20-21H,2-5,12-15,19H2,1H3,(H,40,41);6-18,23-24,33H,4-5,19-22H2,1-3H3;3-9,11-13,15,18,21,27,29,31H,2,10,14,16-17,19-20H2,1H3;1H4/b33-32+;30-29+;31-30-;;/t22-;20-;23-,24+;27-,29+;/m1101./s1.
What are the key properties of 5-[(E)-2-(2-chloro-4-methoxyphenyl)-2-cyclobutyl-1-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethoxy]phenyl]ethenyl]-3-fluoro-2H-indazole;5-[(E)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclobutyl-1-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethoxy]phenyl]ethenyl]-3-fluoro-2H-indazole;(5R,6S)-5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;4-[(Z)-1-[4-[(2S)-2-[(3R)-3-ethylpyrrolidin-1-yl]propoxy]phenyl]-2-phenylbut-1-enyl]phenol;methane?
5-[(E)-2-(2-chloro-4-methoxyphenyl)-2-cyclobutyl-1-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethoxy]phenyl]ethenyl]-3-fluoro-2H-indazole;5-[(E)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclobutyl-1-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethoxy]phenyl]ethenyl]-3-fluoro-2H-indazole;(5R,6S)-5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;4-[(Z)-1-[4-[(2S)-2-[(3R)-3-ethylpyrrolidin-1-yl]propoxy]phenyl]-2-phenylbut-1-enyl]phenol;methane has a molecular weight of 2086.51 g/mol, XLogP of 30.74, 35 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(2-chloro-4-methoxyphenyl)-2-cyclobutyl-1-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethoxy]phenyl]ethenyl]-3-fluoro-2H-indazole;5-[(E)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyclobutyl-1-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethoxy]phenyl]ethenyl]-3-fluoro-2H-indazole;(5R,6S)-5-[4-[2-(3-ethylazetidin-1-yl)ethoxy]phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol;4-[(Z)-1-[4-[(2S)-2-[(3R)-3-ethylpyrrolidin-1-yl]propoxy]phenyl]-2-phenylbut-1-enyl]phenol;methane is sourced from PubChem (CID 160833078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).