2-(4-chlorophenyl)-5-[4-[(2R)-2-cyclopropyl-2-hydroxyethoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-(2,2-dimethylpropoxy)-3-ethylphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-(2-methylpropoxy)phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-[(3R)-3-methylpyrrolidin-1-yl]phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4H-thieno[2,3-c]pyrrol-6-one

C216H209Cl9FN15O25S9 — CID 159823338

IUPAC2-(4-chlorophenyl)-5-[4-[(2R)-2-cyclopropyl-2-hydroxyethoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-(2,2-dimethylpropoxy)-3-ethylphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-(2-methylpropoxy)phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-[(3R)-3-methylpyrrolidin-1-yl]phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4H-thieno[2,3-c]pyrrol-6-one
SMILESCCc1cc(N2Cc3cc(-c4ccc(Cl)cc4)sc3C2=O)ccc1OCC(C)(C)C.CN[C@H]1CCN(c2ccc(N3Cc4cc(-c5ccc(Cl)cc5)sc4C3=O)cn2)C1.COc1cc(N2Cc3cc(-c4ccc(Cl)cc4)sc3C2=O)ccc1N1CC[C@@H](C)C1.COc1cc(N2Cc3cc(-c4ccc(Cl)cc4)sc3C2=O)ccc1N1C[C@@H](C)[C@H](O)C1.COc1cc(N2Cc3cc(-c4ccc(Cl)cc4)sc3C2=O)ccc1OCC(C)(C)C.COc1cc(N2Cc3cc(-c4ccc(Cl)cc4)sc3C2=O)ccc1OCC(C)C.COc1cc(N2Cc3cc(-c4ccc(Cl)cc4)sc3C2=O)ccc1OCC1(O)CC(C)(F)C1.COc1cc(N2Cc3cc(-c4ccc(Cl)cc4)sc3C2=O)ccc1OCCN1CCCC1.COc1cc(N2Cc3cc(-c4ccc(Cl)cc4)sc3C2=O)ccc1OC[C@H](O)C1CC1
InChIInChI=1S/C25H23ClFNO4S.C25H25ClN2O3S.C25H26ClNO2S.C24H23ClN2O3S.C24H23ClN2O2S.C24H22ClNO4S.C24H24ClNO3S.C23H22ClNO3S.C22H21ClN4OS/c1-24(27)12-25(30,13-24)14-32-19-8-7-18(10-20(19)31-2)28-11-16-9-21(33-22(16)23(28)29)15-3-5-17(26)6-4-15;1-30-22-15-20(8-9-21(22)31-13-12-27-10-2-3-11-27)28-16-18-14-23(32-24(18)25(28)29)17-4-6-19(26)7-5-17;1-5-16-12-20(10-11-21(16)29-15-25(2,3)4)27-14-18-13-22(30-23(18)24(27)28)17-6-8-19(26)9-7-17;1-14-11-26(13-20(14)28)19-8-7-18(10-21(19)30-2)27-12-16-9-22(31-23(16)24(27)29)15-3-5-17(25)6-4-15;1-15-9-10-26(13-15)20-8-7-19(12-21(20)29-2)27-14-17-11-22(30-23(17)24(27)28)16-3-5-18(25)6-4-16;1-29-21-11-18(8-9-20(21)30-13-19(27)14-2-3-14)26-12-16-10-22(31-23(16)24(26)28)15-4-6-17(25)7-5-15;1-24(2,3)14-29-19-10-9-18(12-20(19)28-4)26-13-16-11-21(30-22(16)23(26)27)15-5-7-17(25)8-6-15;1-14(2)13-28-19-9-8-18(11-20(19)27-3)25-12-16-10-21(29-22(16)23(25)26)15-4-6-17(24)7-5-15;1-24-17-8-9-26(13-17)20-7-6-18(11-25-20)27-12-15-10-19(29-21(15)22(27)28)14-2-4-16(23)5-3-14/h3-10,30H,11-14H2,1-2H3;4-9,14-15H,2-3,10-13,16H2,1H3;6-13H,5,14-15H2,1-4H3;3-10,14,20,28H,11-13H2,1-2H3;3-8,11-12,15H,9-10,13-14H2,1-2H3;4-11,14,19,27H,2-3,12-13H2,1H3;5-12H,13-14H2,1-4H3;4-11,14H,12-13H2,1-3H3;2-7,10-11,17,24H,8-9,12-13H2,1H3/t;;;14-,20-;15-;19-;;;17-/m...110..0/s1
InChIKeyNMNCXPYOKMCQSZ-FLSQPQSSSA-N
MW4041.81 g/mol
LogP52.68
Rot. Bonds48

About 2-(4-chlorophenyl)-5-[4-[(2R)-2-cyclopropyl-2-hydroxyethoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-(2,2-dimethylpropoxy)-3-ethylphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-(2-methylpropoxy)phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-[(3R)-3-methylpyrrolidin-1-yl]phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4H-thieno[2,3-c]pyrrol-6-one

2-(4-chlorophenyl)-5-[4-[(2R)-2-cyclopropyl-2-hydroxyethoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-(2,2-dimethylpropoxy)-3-ethylphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-(2-methylpropoxy)phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-[(3R)-3-methylpyrrolidin-1-yl]phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4H-thieno[2,3-c]pyrrol-6-one (PubChem CID 159823338) has the molecular formula C216H209Cl9FN15O25S9 and a molecular weight of 4041.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[4-[(2R)-2-cyclopropyl-2-hydroxyethoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-(2,2-dimethylpropoxy)-3-ethylphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-(2-methylpropoxy)phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-[(3R)-3-methylpyrrolidin-1-yl]phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4H-thieno[2,3-c]pyrrol-6-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[4-[(2R)-2-cyclopropyl-2-hydroxyethoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-(2,2-dimethylpropoxy)-3-ethylphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-(2-methylpropoxy)phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-[(3R)-3-methylpyrrolidin-1-yl]phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4H-thieno[2,3-c]pyrrol-6-one
PubChem CID159823338
Molecular FormulaC216H209Cl9FN15O25S9
Molecular Weight4041.81 g/mol
Exact Mass4034.02
IUPAC Name2-(4-chlorophenyl)-5-[4-[(2R)-2-cyclopropyl-2-hydroxyethoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-(2,2-dimethylpropoxy)-3-ethylphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-(2-methylpropoxy)phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-[(3R)-3-methylpyrrolidin-1-yl]phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4H-thieno[2,3-c]pyrrol-6-one
SMILESCCc1cc(N2Cc3cc(-c4ccc(Cl)cc4)sc3C2=O)ccc1OCC(C)(C)C.CN[C@H]1CCN(c2ccc(N3Cc4cc(-c5ccc(Cl)cc5)sc4C3=O)cn2)C1.COc1cc(N2Cc3cc(-c4ccc(Cl)cc4)sc3C2=O)ccc1N1CC[C@@H](C)C1.COc1cc(N2Cc3cc(-c4ccc(Cl)cc4)sc3C2=O)ccc1N1C[C@@H](C)[C@H](O)C1.COc1cc(N2Cc3cc(-c4ccc(Cl)cc4)sc3C2=O)ccc1OCC(C)(C)C.COc1cc(N2Cc3cc(-c4ccc(Cl)cc4)sc3C2=O)ccc1OCC(C)C.COc1cc(N2Cc3cc(-c4ccc(Cl)cc4)sc3C2=O)ccc1OCC1(O)CC(C)(F)C1.COc1cc(N2Cc3cc(-c4ccc(Cl)cc4)sc3C2=O)ccc1OCCN1CCCC1.COc1cc(N2Cc3cc(-c4ccc(Cl)cc4)sc3C2=O)ccc1OC[C@H](O)C1CC1
InChIInChI=1S/C25H23ClFNO4S.C25H25ClN2O3S.C25H26ClNO2S.C24H23ClN2O3S.C24H23ClN2O2S.C24H22ClNO4S.C24H24ClNO3S.C23H22ClNO3S.C22H21ClN4OS/c1-24(27)12-25(30,13-24)14-32-19-8-7-18(10-20(19)31-2)28-11-16-9-21(33-22(16)23(28)29)15-3-5-17(26)6-4-15;1-30-22-15-20(8-9-21(22)31-13-12-27-10-2-3-11-27)28-16-18-14-23(32-24(18)25(28)29)17-4-6-19(26)7-5-17;1-5-16-12-20(10-11-21(16)29-15-25(2,3)4)27-14-18-13-22(30-23(18)24(27)28)17-6-8-19(26)9-7-17;1-14-11-26(13-20(14)28)19-8-7-18(10-21(19)30-2)27-12-16-9-22(31-23(16)24(27)29)15-3-5-17(25)6-4-15;1-15-9-10-26(13-15)20-8-7-19(12-21(20)29-2)27-14-17-11-22(30-23(17)24(27)28)16-3-5-18(25)6-4-16;1-29-21-11-18(8-9-20(21)30-13-19(27)14-2-3-14)26-12-16-10-22(31-23(16)24(26)28)15-4-6-17(25)7-5-15;1-24(2,3)14-29-19-10-9-18(12-20(19)28-4)26-13-16-11-21(30-22(16)23(26)27)15-5-7-17(25)8-6-15;1-14(2)13-28-19-9-8-18(11-20(19)27-3)25-12-16-10-21(29-22(16)23(25)26)15-4-6-17(24)7-5-15;1-24-17-8-9-26(13-17)20-7-6-18(11-25-20)27-12-15-10-19(29-21(15)22(27)28)14-2-4-16(23)5-3-14/h3-10,30H,11-14H2,1-2H3;4-9,14-15H,2-3,10-13,16H2,1H3;6-13H,5,14-15H2,1-4H3;3-10,14,20,28H,11-13H2,1-2H3;3-8,11-12,15H,9-10,13-14H2,1-2H3;4-11,14,19,27H,2-3,12-13H2,1H3;5-12H,13-14H2,1-4H3;4-11,14H,12-13H2,1-3H3;2-7,10-11,17,24H,8-9,12-13H2,1H3/t;;;14-,20-;15-;19-;;;17-/m...110..0/s1
InChIKeyNMNCXPYOKMCQSZ-FLSQPQSSSA-N
XLogP52.68
TPSA401.35 Ų
H-Bond Donors4
H-Bond Acceptors40
Rotatable Bonds48
Heavy Atoms275
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004041.81
LogP ≤ 552.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-(4-chlorophenyl)-5-[4-[(2R)-2-cyclopropyl-2-hydroxyethoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-(2,2-dimethylpropoxy)-3-ethylphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-(2-methylpropoxy)phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-[(3R)-3-methylpyrrolidin-1-yl]phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4H-thieno[2,3-c]pyrrol-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[4-[(2R)-2-cyclopropyl-2-hydroxyethoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-(2,2-dimethylpropoxy)-3-ethylphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-(2-methylpropoxy)phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-[(3R)-3-methylpyrrolidin-1-yl]phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4H-thieno[2,3-c]pyrrol-6-one?
The IUPAC name of 2-(4-chlorophenyl)-5-[4-[(2R)-2-cyclopropyl-2-hydroxyethoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-(2,2-dimethylpropoxy)-3-ethylphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-(2-methylpropoxy)phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-[(3R)-3-methylpyrrolidin-1-yl]phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4H-thieno[2,3-c]pyrrol-6-one (CID 159823338) is 2-(4-chlorophenyl)-5-[4-[(2R)-2-cyclopropyl-2-hydroxyethoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-(2,2-dimethylpropoxy)-3-ethylphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-(2-methylpropoxy)phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-[(3R)-3-methylpyrrolidin-1-yl]phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4H-thieno[2,3-c]pyrrol-6-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[4-[(2R)-2-cyclopropyl-2-hydroxyethoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-(2,2-dimethylpropoxy)-3-ethylphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-(2-methylpropoxy)phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-[(3R)-3-methylpyrrolidin-1-yl]phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4H-thieno[2,3-c]pyrrol-6-one?
The canonical SMILES for 2-(4-chlorophenyl)-5-[4-[(2R)-2-cyclopropyl-2-hydroxyethoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-(2,2-dimethylpropoxy)-3-ethylphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-(2-methylpropoxy)phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-[(3R)-3-methylpyrrolidin-1-yl]phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4H-thieno[2,3-c]pyrrol-6-one is CCc1cc(N2Cc3cc(-c4ccc(Cl)cc4)sc3C2=O)ccc1OCC(C)(C)C.CN[C@H]1CCN(c2ccc(N3Cc4cc(-c5ccc(Cl)cc5)sc4C3=O)cn2)C1.COc1cc(N2Cc3cc(-c4ccc(Cl)cc4)sc3C2=O)ccc1N1CC[C@@H](C)C1.COc1cc(N2Cc3cc(-c4ccc(Cl)cc4)sc3C2=O)ccc1N1C[C@@H](C)[C@H](O)C1.COc1cc(N2Cc3cc(-c4ccc(Cl)cc4)sc3C2=O)ccc1OCC(C)(C)C.COc1cc(N2Cc3cc(-c4ccc(Cl)cc4)sc3C2=O)ccc1OCC(C)C.COc1cc(N2Cc3cc(-c4ccc(Cl)cc4)sc3C2=O)ccc1OCC1(O)CC(C)(F)C1.COc1cc(N2Cc3cc(-c4ccc(Cl)cc4)sc3C2=O)ccc1OCCN1CCCC1.COc1cc(N2Cc3cc(-c4ccc(Cl)cc4)sc3C2=O)ccc1OC[C@H](O)C1CC1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[4-[(2R)-2-cyclopropyl-2-hydroxyethoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-(2,2-dimethylpropoxy)-3-ethylphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-(2-methylpropoxy)phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-[(3R)-3-methylpyrrolidin-1-yl]phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4H-thieno[2,3-c]pyrrol-6-one?
The InChIKey is NMNCXPYOKMCQSZ-FLSQPQSSSA-N. The full InChI is InChI=1S/C25H23ClFNO4S.C25H25ClN2O3S.C25H26ClNO2S.C24H23ClN2O3S.C24H23ClN2O2S.C24H22ClNO4S.C24H24ClNO3S.C23H22ClNO3S.C22H21ClN4OS/c1-24(27)12-25(30,13-24)14-32-19-8-7-18(10-20(19)31-2)28-11-16-9-21(33-22(16)23(28)29)15-3-5-17(26)6-4-15;1-30-22-15-20(8-9-21(22)31-13-12-27-10-2-3-11-27)28-16-18-14-23(32-24(18)25(28)29)17-4-6-19(26)7-5-17;1-5-16-12-20(10-11-21(16)29-15-25(2,3)4)27-14-18-13-22(30-23(18)24(27)28)17-6-8-19(26)9-7-17;1-14-11-26(13-20(14)28)19-8-7-18(10-21(19)30-2)27-12-16-9-22(31-23(16)24(27)29)15-3-5-17(25)6-4-15;1-15-9-10-26(13-15)20-8-7-19(12-21(20)29-2)27-14-17-11-22(30-23(17)24(27)28)16-3-5-18(25)6-4-16;1-29-21-11-18(8-9-20(21)30-13-19(27)14-2-3-14)26-12-16-10-22(31-23(16)24(26)28)15-4-6-17(25)7-5-15;1-24(2,3)14-29-19-10-9-18(12-20(19)28-4)26-13-16-11-21(30-22(16)23(26)27)15-5-7-17(25)8-6-15;1-14(2)13-28-19-9-8-18(11-20(19)27-3)25-12-16-10-21(29-22(16)23(25)26)15-4-6-17(24)7-5-15;1-24-17-8-9-26(13-17)20-7-6-18(11-25-20)27-12-15-10-19(29-21(15)22(27)28)14-2-4-16(23)5-3-14/h3-10,30H,11-14H2,1-2H3;4-9,14-15H,2-3,10-13,16H2,1H3;6-13H,5,14-15H2,1-4H3;3-10,14,20,28H,11-13H2,1-2H3;3-8,11-12,15H,9-10,13-14H2,1-2H3;4-11,14,19,27H,2-3,12-13H2,1H3;5-12H,13-14H2,1-4H3;4-11,14H,12-13H2,1-3H3;2-7,10-11,17,24H,8-9,12-13H2,1H3/t;;;14-,20-;15-;19-;;;17-/m...110..0/s1.
What are the key properties of 2-(4-chlorophenyl)-5-[4-[(2R)-2-cyclopropyl-2-hydroxyethoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-(2,2-dimethylpropoxy)-3-ethylphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-(2-methylpropoxy)phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-[(3R)-3-methylpyrrolidin-1-yl]phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4H-thieno[2,3-c]pyrrol-6-one?
2-(4-chlorophenyl)-5-[4-[(2R)-2-cyclopropyl-2-hydroxyethoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-(2,2-dimethylpropoxy)-3-ethylphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-(2-methylpropoxy)phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-[(3R)-3-methylpyrrolidin-1-yl]phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4H-thieno[2,3-c]pyrrol-6-one has a molecular weight of 4041.81 g/mol, XLogP of 52.68, 48 rotatable bonds, 4 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[4-[(2R)-2-cyclopropyl-2-hydroxyethoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-(2,2-dimethylpropoxy)-3-ethylphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-[(3-fluoro-1-hydroxy-3-methylcyclobutyl)methoxy]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[4-[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-(2-methylpropoxy)phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-[(3R)-3-methylpyrrolidin-1-yl]phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4H-thieno[2,3-c]pyrrol-6-one;2-(4-chlorophenyl)-5-[6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4H-thieno[2,3-c]pyrrol-6-one is sourced from PubChem (CID 159823338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).