2-amino-1-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-iodo-2-pyridinyl]ethanol;2-bromo-1-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-iodo-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)butan-1-one;3-methoxy-4-propoxybenzoic acid;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-oxobutanoyl]pyridine-4-carboxylate;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[1-hydroxy-4-(3-methoxy-4-propoxyphenyl)-4-oxobutyl]pyridine-4-carboxylate;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[4-(3-methoxy-4-propoxyphenyl)-4-oxobutanoyl]pyridine-4-carboxylate

C169H151BrCl2F7I2N9O30S7 — CID 159510076

IUPAC2-amino-1-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-iodo-2-pyridinyl]ethanol;2-bromo-1-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-iodo-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)butan-1-one;3-methoxy-4-propoxybenzoic acid;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-oxobutanoyl]pyridine-4-carboxylate;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[1-hydroxy-4-(3-methoxy-4-propoxyphenyl)-4-oxobutyl]pyridine-4-carboxylate;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[4-(3-methoxy-4-propoxyphenyl)-4-oxobutanoyl]pyridine-4-carboxylate
SMILESCCCOc1ccc(C(=O)CCC(=O)c2cc(C(=O)OC)cc(-c3csc4c(F)cccc34)n2)cc1OC.CCCOc1ccc(C(=O)CCC(O)c2cc(C(=O)OC)cc(-c3csc4c(F)cccc34)n2)cc1OC.CCCOc1ccc(C(=O)CCC(O)c2cc(I)cc(-c3csc4c(F)cccc34)n2)cc1OC.CCCOc1ccc(C(=O)O)cc1OC.COC(=O)c1cc(C(=O)CCC(=O)c2ccc(OCCO)c(OC)c2)nc(-c2csc3c(F)cccc23)c1.NCC(O)c1cc(Cl)cc(-c2csc3c(F)cccc23)n1.NCC(O)c1cc(I)cc(-c2csc3c(F)cccc23)n1.OC(CBr)c1cc(Cl)cc(-c2csc3c(F)cccc23)n1
InChIInChI=1S/C29H28FNO6S.C29H26FNO6S.C28H24FNO7S.C27H25FINO4S.C15H10BrClFNOS.C15H12ClFN2OS.C15H12FIN2OS.C11H14O4/c2*1-4-12-37-26-11-8-17(15-27(26)35-2)24(32)9-10-25(33)23-14-18(29(34)36-3)13-22(31-23)20-16-38-28-19(20)6-5-7-21(28)30;1-35-26-14-16(6-9-25(26)37-11-10-31)23(32)7-8-24(33)22-13-17(28(34)36-2)12-21(30-22)19-15-38-27-18(19)4-3-5-20(27)29;1-3-11-34-25-10-7-16(12-26(25)33-2)23(31)8-9-24(32)22-14-17(29)13-21(30-22)19-15-35-27-18(19)5-4-6-20(27)28;16-6-14(20)13-5-8(17)4-12(19-13)10-7-21-15-9(10)2-1-3-11(15)18;16-8-4-12(19-13(5-8)14(20)6-18)10-7-21-15-9(10)2-1-3-11(15)17;16-11-3-1-2-9-10(7-21-15(9)11)12-4-8(17)5-13(19-12)14(20)6-18;1-3-6-15-9-5-4-8(11(12)13)7-10(9)14-2/h5-8,11,13-16,25,33H,4,9-10,12H2,1-3H3;5-8,11,13-16H,4,9-10,12H2,1-3H3;3-6,9,12-15,31H,7-8,10-11H2,1-2H3;4-7,10,12-15,24,32H,3,8-9,11H2,1-2H3;1-5,7,14,20H,6H2;2*1-5,7,14,20H,6,18H2;4-5,7H,3,6H2,1-2H3,(H,12,13)
InChIKeyMAMGGBRNCRRPAD-UHFFFAOYSA-N
MW3550.17 g/mol
LogP40.04
Rot. Bonds57

About 2-amino-1-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-iodo-2-pyridinyl]ethanol;2-bromo-1-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-iodo-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)butan-1-one;3-methoxy-4-propoxybenzoic acid;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-oxobutanoyl]pyridine-4-carboxylate;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[1-hydroxy-4-(3-methoxy-4-propoxyphenyl)-4-oxobutyl]pyridine-4-carboxylate;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[4-(3-methoxy-4-propoxyphenyl)-4-oxobutanoyl]pyridine-4-carboxylate

2-amino-1-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-iodo-2-pyridinyl]ethanol;2-bromo-1-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-iodo-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)butan-1-one;3-methoxy-4-propoxybenzoic acid;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-oxobutanoyl]pyridine-4-carboxylate;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[1-hydroxy-4-(3-methoxy-4-propoxyphenyl)-4-oxobutyl]pyridine-4-carboxylate;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[4-(3-methoxy-4-propoxyphenyl)-4-oxobutanoyl]pyridine-4-carboxylate (PubChem CID 159510076) has the molecular formula C169H151BrCl2F7I2N9O30S7 and a molecular weight of 3550.17 g/mol. Its IUPAC name is 2-amino-1-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-iodo-2-pyridinyl]ethanol;2-bromo-1-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-iodo-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)butan-1-one;3-methoxy-4-propoxybenzoic acid;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-oxobutanoyl]pyridine-4-carboxylate;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[1-hydroxy-4-(3-methoxy-4-propoxyphenyl)-4-oxobutyl]pyridine-4-carboxylate;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[4-(3-methoxy-4-propoxyphenyl)-4-oxobutanoyl]pyridine-4-carboxylate.

Molecular Properties

Compound Name2-amino-1-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-iodo-2-pyridinyl]ethanol;2-bromo-1-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-iodo-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)butan-1-one;3-methoxy-4-propoxybenzoic acid;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-oxobutanoyl]pyridine-4-carboxylate;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[1-hydroxy-4-(3-methoxy-4-propoxyphenyl)-4-oxobutyl]pyridine-4-carboxylate;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[4-(3-methoxy-4-propoxyphenyl)-4-oxobutanoyl]pyridine-4-carboxylate
PubChem CID159510076
Molecular FormulaC169H151BrCl2F7I2N9O30S7
Molecular Weight3550.17 g/mol
Exact Mass3545.51
IUPAC Name2-amino-1-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-iodo-2-pyridinyl]ethanol;2-bromo-1-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-iodo-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)butan-1-one;3-methoxy-4-propoxybenzoic acid;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-oxobutanoyl]pyridine-4-carboxylate;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[1-hydroxy-4-(3-methoxy-4-propoxyphenyl)-4-oxobutyl]pyridine-4-carboxylate;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[4-(3-methoxy-4-propoxyphenyl)-4-oxobutanoyl]pyridine-4-carboxylate
SMILESCCCOc1ccc(C(=O)CCC(=O)c2cc(C(=O)OC)cc(-c3csc4c(F)cccc34)n2)cc1OC.CCCOc1ccc(C(=O)CCC(O)c2cc(C(=O)OC)cc(-c3csc4c(F)cccc34)n2)cc1OC.CCCOc1ccc(C(=O)CCC(O)c2cc(I)cc(-c3csc4c(F)cccc34)n2)cc1OC.CCCOc1ccc(C(=O)O)cc1OC.COC(=O)c1cc(C(=O)CCC(=O)c2ccc(OCCO)c(OC)c2)nc(-c2csc3c(F)cccc23)c1.NCC(O)c1cc(Cl)cc(-c2csc3c(F)cccc23)n1.NCC(O)c1cc(I)cc(-c2csc3c(F)cccc23)n1.OC(CBr)c1cc(Cl)cc(-c2csc3c(F)cccc23)n1
InChIInChI=1S/C29H28FNO6S.C29H26FNO6S.C28H24FNO7S.C27H25FINO4S.C15H10BrClFNOS.C15H12ClFN2OS.C15H12FIN2OS.C11H14O4/c2*1-4-12-37-26-11-8-17(15-27(26)35-2)24(32)9-10-25(33)23-14-18(29(34)36-3)13-22(31-23)20-16-38-28-19(20)6-5-7-21(28)30;1-35-26-14-16(6-9-25(26)37-11-10-31)23(32)7-8-24(33)22-13-17(28(34)36-2)12-21(30-22)19-15-38-27-18(19)4-3-5-20(27)29;1-3-11-34-25-10-7-16(12-26(25)33-2)23(31)8-9-24(32)22-14-17(29)13-21(30-22)19-15-35-27-18(19)5-4-6-20(27)28;16-6-14(20)13-5-8(17)4-12(19-13)10-7-21-15-9(10)2-1-3-11(15)18;16-8-4-12(19-13(5-8)14(20)6-18)10-7-21-15-9(10)2-1-3-11(15)17;16-11-3-1-2-9-10(7-21-15(9)11)12-4-8(17)5-13(19-12)14(20)6-18;1-3-6-15-9-5-4-8(11(12)13)7-10(9)14-2/h5-8,11,13-16,25,33H,4,9-10,12H2,1-3H3;5-8,11,13-16H,4,9-10,12H2,1-3H3;3-6,9,12-15,31H,7-8,10-11H2,1-2H3;4-7,10,12-15,24,32H,3,8-9,11H2,1-2H3;1-5,7,14,20H,6H2;2*1-5,7,14,20H,6,18H2;4-5,7H,3,6H2,1-2H3,(H,12,13)
InChIKeyMAMGGBRNCRRPAD-UHFFFAOYSA-N
XLogP40.04
TPSA574.57 Ų
H-Bond Donors9
H-Bond Acceptors45
Rotatable Bonds57
Heavy Atoms227
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003550.17
LogP ≤ 540.04
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-amino-1-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-iodo-2-pyridinyl]ethanol;2-bromo-1-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-iodo-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)butan-1-one;3-methoxy-4-propoxybenzoic acid;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-oxobutanoyl]pyridine-4-carboxylate;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[1-hydroxy-4-(3-methoxy-4-propoxyphenyl)-4-oxobutyl]pyridine-4-carboxylate;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[4-(3-methoxy-4-propoxyphenyl)-4-oxobutanoyl]pyridine-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-iodo-2-pyridinyl]ethanol;2-bromo-1-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-iodo-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)butan-1-one;3-methoxy-4-propoxybenzoic acid;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-oxobutanoyl]pyridine-4-carboxylate;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[1-hydroxy-4-(3-methoxy-4-propoxyphenyl)-4-oxobutyl]pyridine-4-carboxylate;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[4-(3-methoxy-4-propoxyphenyl)-4-oxobutanoyl]pyridine-4-carboxylate?
The IUPAC name of 2-amino-1-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-iodo-2-pyridinyl]ethanol;2-bromo-1-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-iodo-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)butan-1-one;3-methoxy-4-propoxybenzoic acid;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-oxobutanoyl]pyridine-4-carboxylate;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[1-hydroxy-4-(3-methoxy-4-propoxyphenyl)-4-oxobutyl]pyridine-4-carboxylate;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[4-(3-methoxy-4-propoxyphenyl)-4-oxobutanoyl]pyridine-4-carboxylate (CID 159510076) is 2-amino-1-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-iodo-2-pyridinyl]ethanol;2-bromo-1-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-iodo-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)butan-1-one;3-methoxy-4-propoxybenzoic acid;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-oxobutanoyl]pyridine-4-carboxylate;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[1-hydroxy-4-(3-methoxy-4-propoxyphenyl)-4-oxobutyl]pyridine-4-carboxylate;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[4-(3-methoxy-4-propoxyphenyl)-4-oxobutanoyl]pyridine-4-carboxylate.
What is the SMILES notation for 2-amino-1-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-iodo-2-pyridinyl]ethanol;2-bromo-1-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-iodo-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)butan-1-one;3-methoxy-4-propoxybenzoic acid;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-oxobutanoyl]pyridine-4-carboxylate;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[1-hydroxy-4-(3-methoxy-4-propoxyphenyl)-4-oxobutyl]pyridine-4-carboxylate;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[4-(3-methoxy-4-propoxyphenyl)-4-oxobutanoyl]pyridine-4-carboxylate?
The canonical SMILES for 2-amino-1-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-iodo-2-pyridinyl]ethanol;2-bromo-1-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-iodo-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)butan-1-one;3-methoxy-4-propoxybenzoic acid;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-oxobutanoyl]pyridine-4-carboxylate;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[1-hydroxy-4-(3-methoxy-4-propoxyphenyl)-4-oxobutyl]pyridine-4-carboxylate;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[4-(3-methoxy-4-propoxyphenyl)-4-oxobutanoyl]pyridine-4-carboxylate is CCCOc1ccc(C(=O)CCC(=O)c2cc(C(=O)OC)cc(-c3csc4c(F)cccc34)n2)cc1OC.CCCOc1ccc(C(=O)CCC(O)c2cc(C(=O)OC)cc(-c3csc4c(F)cccc34)n2)cc1OC.CCCOc1ccc(C(=O)CCC(O)c2cc(I)cc(-c3csc4c(F)cccc34)n2)cc1OC.CCCOc1ccc(C(=O)O)cc1OC.COC(=O)c1cc(C(=O)CCC(=O)c2ccc(OCCO)c(OC)c2)nc(-c2csc3c(F)cccc23)c1.NCC(O)c1cc(Cl)cc(-c2csc3c(F)cccc23)n1.NCC(O)c1cc(I)cc(-c2csc3c(F)cccc23)n1.OC(CBr)c1cc(Cl)cc(-c2csc3c(F)cccc23)n1.
What is the InChIKey of 2-amino-1-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-iodo-2-pyridinyl]ethanol;2-bromo-1-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-iodo-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)butan-1-one;3-methoxy-4-propoxybenzoic acid;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-oxobutanoyl]pyridine-4-carboxylate;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[1-hydroxy-4-(3-methoxy-4-propoxyphenyl)-4-oxobutyl]pyridine-4-carboxylate;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[4-(3-methoxy-4-propoxyphenyl)-4-oxobutanoyl]pyridine-4-carboxylate?
The InChIKey is MAMGGBRNCRRPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FNO6S.C29H26FNO6S.C28H24FNO7S.C27H25FINO4S.C15H10BrClFNOS.C15H12ClFN2OS.C15H12FIN2OS.C11H14O4/c2*1-4-12-37-26-11-8-17(15-27(26)35-2)24(32)9-10-25(33)23-14-18(29(34)36-3)13-22(31-23)20-16-38-28-19(20)6-5-7-21(28)30;1-35-26-14-16(6-9-25(26)37-11-10-31)23(32)7-8-24(33)22-13-17(28(34)36-2)12-21(30-22)19-15-38-27-18(19)4-3-5-20(27)29;1-3-11-34-25-10-7-16(12-26(25)33-2)23(31)8-9-24(32)22-14-17(29)13-21(30-22)19-15-35-27-18(19)5-4-6-20(27)28;16-6-14(20)13-5-8(17)4-12(19-13)10-7-21-15-9(10)2-1-3-11(15)18;16-8-4-12(19-13(5-8)14(20)6-18)10-7-21-15-9(10)2-1-3-11(15)17;16-11-3-1-2-9-10(7-21-15(9)11)12-4-8(17)5-13(19-12)14(20)6-18;1-3-6-15-9-5-4-8(11(12)13)7-10(9)14-2/h5-8,11,13-16,25,33H,4,9-10,12H2,1-3H3;5-8,11,13-16H,4,9-10,12H2,1-3H3;3-6,9,12-15,31H,7-8,10-11H2,1-2H3;4-7,10,12-15,24,32H,3,8-9,11H2,1-2H3;1-5,7,14,20H,6H2;2*1-5,7,14,20H,6,18H2;4-5,7H,3,6H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-1-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-iodo-2-pyridinyl]ethanol;2-bromo-1-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-iodo-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)butan-1-one;3-methoxy-4-propoxybenzoic acid;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-oxobutanoyl]pyridine-4-carboxylate;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[1-hydroxy-4-(3-methoxy-4-propoxyphenyl)-4-oxobutyl]pyridine-4-carboxylate;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[4-(3-methoxy-4-propoxyphenyl)-4-oxobutanoyl]pyridine-4-carboxylate?
2-amino-1-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-iodo-2-pyridinyl]ethanol;2-bromo-1-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-iodo-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)butan-1-one;3-methoxy-4-propoxybenzoic acid;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-oxobutanoyl]pyridine-4-carboxylate;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[1-hydroxy-4-(3-methoxy-4-propoxyphenyl)-4-oxobutyl]pyridine-4-carboxylate;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[4-(3-methoxy-4-propoxyphenyl)-4-oxobutanoyl]pyridine-4-carboxylate has a molecular weight of 3550.17 g/mol, XLogP of 40.04, 57 rotatable bonds, 9 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-4-iodo-2-pyridinyl]ethanol;2-bromo-1-[4-chloro-6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]ethanol;4-[6-(7-fluoro-1-benzothiophen-3-yl)-4-iodo-2-pyridinyl]-4-hydroxy-1-(3-methoxy-4-propoxyphenyl)butan-1-one;3-methoxy-4-propoxybenzoic acid;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4-oxobutanoyl]pyridine-4-carboxylate;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[1-hydroxy-4-(3-methoxy-4-propoxyphenyl)-4-oxobutyl]pyridine-4-carboxylate;methyl 2-(7-fluoro-1-benzothiophen-3-yl)-6-[4-(3-methoxy-4-propoxyphenyl)-4-oxobutanoyl]pyridine-4-carboxylate is sourced from PubChem (CID 159510076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).