2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanol;deuteriomethylphosphane;1-(3,4-dimethoxyphenyl)-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]-4-hydroxybutan-1-one;methane

C91H88F3N4O15PS3 — CID 158750609

IUPAC2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanol;deuteriomethylphosphane;1-(3,4-dimethoxyphenyl)-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]-4-hydroxybutan-1-one;methane
SMILESC.COc1ccc(COc2cc(-c3csc4c(F)cccc34)nc(C(O)CCC(=O)c3ccc(OC)c(OC)c3)c2)cc1.COc1ccc(COc2cc(-c3csc4c(F)cccc34)nc(C(O)CN)c2)cc1.COc1ccc(COc2cc(C(=O)CCC(=O)c3ccc(OC)c(OC)c3)nc(-c3csc4c(F)cccc34)c2)cc1.[2H]CP
InChIInChI=1S/C33H30FNO6S.C33H28FNO6S.C23H21FN2O3S.CH5P.CH4/c2*1-38-22-10-7-20(8-11-22)18-41-23-16-27(25-19-42-33-24(25)5-4-6-26(33)34)35-28(17-23)30(37)13-12-29(36)21-9-14-31(39-2)32(15-21)40-3;1-28-15-7-5-14(6-8-15)12-29-16-9-20(26-21(10-16)22(27)11-25)18-13-30-23-17(18)3-2-4-19(23)24;1-2;/h4-11,14-17,19,30,37H,12-13,18H2,1-3H3;4-11,14-17,19H,12-13,18H2,1-3H3;2-10,13,22,27H,11-12,25H2,1H3;2H2,1H3;1H4/i;;;1D;
InChIKeyINKVCNKRKJPMRR-JLMMQWLNSA-N
MW1662.89 g/mol
LogP20.77
Rot. Bonds31

About 2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanol;deuteriomethylphosphane;1-(3,4-dimethoxyphenyl)-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]-4-hydroxybutan-1-one;methane

2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanol;deuteriomethylphosphane;1-(3,4-dimethoxyphenyl)-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]-4-hydroxybutan-1-one;methane (PubChem CID 158750609) has the molecular formula C91H88F3N4O15PS3 and a molecular weight of 1662.89 g/mol. Its IUPAC name is 2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanol;deuteriomethylphosphane;1-(3,4-dimethoxyphenyl)-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]-4-hydroxybutan-1-one;methane.

Molecular Properties

Compound Name2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanol;deuteriomethylphosphane;1-(3,4-dimethoxyphenyl)-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]-4-hydroxybutan-1-one;methane
PubChem CID158750609
Molecular FormulaC91H88F3N4O15PS3
Molecular Weight1662.89 g/mol
Exact Mass1661.52
IUPAC Name2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanol;deuteriomethylphosphane;1-(3,4-dimethoxyphenyl)-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]-4-hydroxybutan-1-one;methane
SMILESC.COc1ccc(COc2cc(-c3csc4c(F)cccc34)nc(C(O)CCC(=O)c3ccc(OC)c(OC)c3)c2)cc1.COc1ccc(COc2cc(-c3csc4c(F)cccc34)nc(C(O)CN)c2)cc1.COc1ccc(COc2cc(C(=O)CCC(=O)c3ccc(OC)c(OC)c3)nc(-c3csc4c(F)cccc34)c2)cc1.[2H]CP
InChIInChI=1S/C33H30FNO6S.C33H28FNO6S.C23H21FN2O3S.CH5P.CH4/c2*1-38-22-10-7-20(8-11-22)18-41-23-16-27(25-19-42-33-24(25)5-4-6-26(33)34)35-28(17-23)30(37)13-12-29(36)21-9-14-31(39-2)32(15-21)40-3;1-28-15-7-5-14(6-8-15)12-29-16-9-20(26-21(10-16)22(27)11-25)18-13-30-23-17(18)3-2-4-19(23)24;1-2;/h4-11,14-17,19,30,37H,12-13,18H2,1-3H3;4-11,14-17,19H,12-13,18H2,1-3H3;2-10,13,22,27H,11-12,25H2,1H3;2H2,1H3;1H4/i;;;1D;
InChIKeyINKVCNKRKJPMRR-JLMMQWLNSA-N
XLogP20.77
TPSA248.66 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds31
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001662.89
LogP ≤ 520.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanol;deuteriomethylphosphane;1-(3,4-dimethoxyphenyl)-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]-4-hydroxybutan-1-one;methane with MolForge

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Related Compounds

N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]-2-hydroxyethyl]-3,4-dimethoxybenzamide
CID 90061529
Methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[1-hydroxy-2-[[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]benzoyl]amino]ethyl]pyridine-4-carboxylate
CID 90061656
N-[1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-3-hydroxy-1-oxopropan-2-yl]-4-[2-[2-[2-(7-fluoro-1-benzothiophen-3-yl)-5-methyl-1,3,2-dioxaborinan-5-yl]ethoxy]ethoxy]-3-methoxybenzamide
CID 123417203
1-[6-(7-Fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-4-(3-methoxy-4-piperidin-4-yloxyphenyl)butane-1,4-dione
CID 146818627
1-[4-(2-Aminoethoxy)-3-methoxyphenyl]-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-methoxy-2-pyridinyl]butane-1,4-dione
CID 148557193
N-[2-[4-chloro-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;3,4-dimethoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-4-(trifluoromethyl)-2-pyridinyl]-2-oxoethyl]benzamide;N-[2-[5-ethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 157256041
N-[2-[4,5-dimethoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[2-[4-ethyl-5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;N-[2-[5-ethyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3,4-dimethoxybenzamide;N-[2-[5-ethyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-4-methyl-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide;4-(2-hydroxyethoxy)-3-methoxy-N-[2-[6-(7-methyl-1-benzothiophen-3-yl)-5-(trifluoromethoxy)-2-pyridinyl]-2-oxoethyl]benzamide
CID 157982202
1-(3,4-Dimethoxyphenyl)-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]-4-hydroxybutan-1-one
CID 157137843
4-[6-(7-Fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-4-hydroxy-1-[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]phenyl]pentan-1-one
CID 158966272
(2S)-2-(4-aminobutyl)-1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione
CID 159955133
(2R)-2-(4-aminobutyl)-1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione
CID 159955134
1-[6-(2-Chloro-7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione;1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-hydroxy-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione
CID 157093162

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanol;deuteriomethylphosphane;1-(3,4-dimethoxyphenyl)-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]-4-hydroxybutan-1-one;methane?
The IUPAC name of 2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanol;deuteriomethylphosphane;1-(3,4-dimethoxyphenyl)-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]-4-hydroxybutan-1-one;methane (CID 158750609) is 2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanol;deuteriomethylphosphane;1-(3,4-dimethoxyphenyl)-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]-4-hydroxybutan-1-one;methane.
What is the SMILES notation for 2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanol;deuteriomethylphosphane;1-(3,4-dimethoxyphenyl)-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]-4-hydroxybutan-1-one;methane?
The canonical SMILES for 2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanol;deuteriomethylphosphane;1-(3,4-dimethoxyphenyl)-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]-4-hydroxybutan-1-one;methane is C.COc1ccc(COc2cc(-c3csc4c(F)cccc34)nc(C(O)CCC(=O)c3ccc(OC)c(OC)c3)c2)cc1.COc1ccc(COc2cc(-c3csc4c(F)cccc34)nc(C(O)CN)c2)cc1.COc1ccc(COc2cc(C(=O)CCC(=O)c3ccc(OC)c(OC)c3)nc(-c3csc4c(F)cccc34)c2)cc1.[2H]CP.
What is the InChIKey of 2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanol;deuteriomethylphosphane;1-(3,4-dimethoxyphenyl)-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]-4-hydroxybutan-1-one;methane?
The InChIKey is INKVCNKRKJPMRR-JLMMQWLNSA-N. The full InChI is InChI=1S/C33H30FNO6S.C33H28FNO6S.C23H21FN2O3S.CH5P.CH4/c2*1-38-22-10-7-20(8-11-22)18-41-23-16-27(25-19-42-33-24(25)5-4-6-26(33)34)35-28(17-23)30(37)13-12-29(36)21-9-14-31(39-2)32(15-21)40-3;1-28-15-7-5-14(6-8-15)12-29-16-9-20(26-21(10-16)22(27)11-25)18-13-30-23-17(18)3-2-4-19(23)24;1-2;/h4-11,14-17,19,30,37H,12-13,18H2,1-3H3;4-11,14-17,19H,12-13,18H2,1-3H3;2-10,13,22,27H,11-12,25H2,1H3;2H2,1H3;1H4/i;;;1D;.
What are the key properties of 2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanol;deuteriomethylphosphane;1-(3,4-dimethoxyphenyl)-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]-4-hydroxybutan-1-one;methane?
2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanol;deuteriomethylphosphane;1-(3,4-dimethoxyphenyl)-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]-4-hydroxybutan-1-one;methane has a molecular weight of 1662.89 g/mol, XLogP of 20.77, 31 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanol;deuteriomethylphosphane;1-(3,4-dimethoxyphenyl)-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]butane-1,4-dione;1-(3,4-dimethoxyphenyl)-4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-[(4-methoxyphenyl)methoxy]-2-pyridinyl]-4-hydroxybutan-1-one;methane is sourced from PubChem (CID 158750609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).