1-[3-(2-chloro-4-hydroxyphenyl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrol-2-yl]ethanone;1-[3-(2-chloro-4-methoxyphenyl)-5-(2,6-dimethoxyphenyl)-4-ethyl-1H-pyrrol-2-yl]ethanone;1-[3-(2-chloro-4-methoxyphenyl)-4-ethyl-5-[1-(2-hydroxyethyl)indol-4-yl]-1H-pyrrol-2-yl]ethanone;1-[3-(2-chlorophenyl)-5-(1H-indol-4-yl)-4-methyl-1H-pyrrol-2-yl]ethanone;1-[3-(2-chlorophenyl)-5-(1H-indol-4-yl)-4-propyl-1H-pyrrol-2-yl]ethanone;1-[3-(4-chloro-3-pyridinyl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrol-2-yl]ethanone;4-ethyl-5-(1H-indol-4-yl)-3-(3-methylphenyl)-1H-pyrrole-2-carboxylic acid;1-[4-ethyl-5-(1H-indol-4-yl)-3-(4-methylphenyl)-1H-pyrrol-2-yl]ethanone;bis(4-ethyl-5-(1H-indol-4-yl)-3-(3-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid);1-[4-ethyl-5-(1H-indol-4-yl)-3-(2-phenylphenyl)-1H-pyrrol-2-yl]ethanone;1-[4-ethyl-5-(1-methylindol-4-yl)-3-phenyl-1H-pyrrol-2-yl]ethanone

C285H256Cl6N24O23 — CID 165033720

IUPAC1-[3-(2-chloro-4-hydroxyphenyl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrol-2-yl]ethanone;1-[3-(2-chloro-4-methoxyphenyl)-5-(2,6-dimethoxyphenyl)-4-ethyl-1H-pyrrol-2-yl]ethanone;1-[3-(2-chloro-4-methoxyphenyl)-4-ethyl-5-[1-(2-hydroxyethyl)indol-4-yl]-1H-pyrrol-2-yl]ethanone;1-[3-(2-chlorophenyl)-5-(1H-indol-4-yl)-4-methyl-1H-pyrrol-2-yl]ethanone;1-[3-(2-chlorophenyl)-5-(1H-indol-4-yl)-4-propyl-1H-pyrrol-2-yl]ethanone;1-[3-(4-chloro-3-pyridinyl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrol-2-yl]ethanone;4-ethyl-5-(1H-indol-4-yl)-3-(3-methylphenyl)-1H-pyrrole-2-carboxylic acid;1-[4-ethyl-5-(1H-indol-4-yl)-3-(4-methylphenyl)-1H-pyrrol-2-yl]ethanone;bis(4-ethyl-5-(1H-indol-4-yl)-3-(3-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid);1-[4-ethyl-5-(1H-indol-4-yl)-3-(2-phenylphenyl)-1H-pyrrol-2-yl]ethanone;1-[4-ethyl-5-(1-methylindol-4-yl)-3-phenyl-1H-pyrrol-2-yl]ethanone
SMILESCC(=O)c1[nH]c(-c2cccc3[nH]ccc23)c(C)c1-c1ccccc1Cl.CCCc1c(-c2cccc3[nH]ccc23)[nH]c(C(C)=O)c1-c1ccccc1Cl.CCc1c(-c2c(OC)cccc2OC)[nH]c(C(C)=O)c1-c1ccc(OC)cc1Cl.CCc1c(-c2cccc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cccc(C)c1.CCc1c(-c2cccc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cccc(Oc2ccccc2)c1.CCc1c(-c2cccc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cccc(Oc2ccccc2)c1.CCc1c(-c2cccc3[nH]ccc23)[nH]c(C(C)=O)c1-c1ccc(C)cc1.CCc1c(-c2cccc3[nH]ccc23)[nH]c(C(C)=O)c1-c1ccc(O)cc1Cl.CCc1c(-c2cccc3[nH]ccc23)[nH]c(C(C)=O)c1-c1ccccc1-c1ccccc1.CCc1c(-c2cccc3[nH]ccc23)[nH]c(C(C)=O)c1-c1cnccc1Cl.CCc1c(-c2cccc3c2ccn3C)[nH]c(C(C)=O)c1-c1ccccc1.CCc1c(-c2cccc3c2ccn3CCO)[nH]c(C(C)=O)c1-c1ccc(OC)cc1Cl
InChIInChI=1S/C28H24N2O.2C27H22N2O3.C25H25ClN2O3.C23H21ClN2O.C23H24ClNO4.2C23H22N2O.C22H19ClN2O2.C22H20N2O2.C21H18ClN3O.C21H17ClN2O/c1-3-20-26(23-13-8-7-12-21(23)19-10-5-4-6-11-19)27(18(2)31)30-28(20)24-14-9-15-25-22(24)16-17-29-25;2*1-2-20-24(17-8-6-11-19(16-17)32-18-9-4-3-5-10-18)26(27(30)31)29-25(20)22-12-7-13-23-21(22)14-15-28-23;1-4-17-23(20-9-8-16(31-3)14-21(20)26)24(15(2)30)27-25(17)19-6-5-7-22-18(19)10-11-28(22)12-13-29;1-3-7-18-21(17-8-4-5-10-19(17)24)22(14(2)27)26-23(18)16-9-6-11-20-15(16)12-13-25-20;1-6-15-20(16-11-10-14(27-3)12-17(16)24)22(13(2)26)25-23(15)21-18(28-4)8-7-9-19(21)29-5;1-4-17-21(16-10-8-14(2)9-11-16)22(15(3)26)25-23(17)19-6-5-7-20-18(19)12-13-24-20;1-4-17-21(16-9-6-5-7-10-16)22(15(2)26)24-23(17)19-11-8-12-20-18(19)13-14-25(20)3;1-3-14-20(17-8-7-13(27)11-18(17)23)21(12(2)26)25-22(14)16-5-4-6-19-15(16)9-10-24-19;1-3-15-19(14-7-4-6-13(2)12-14)21(22(25)26)24-20(15)17-8-5-9-18-16(17)10-11-23-18;1-3-13-19(16-11-23-9-8-17(16)22)20(12(2)26)25-21(13)15-5-4-6-18-14(15)7-10-24-18;1-12-19(16-6-3-4-8-17(16)22)21(13(2)25)24-20(12)15-7-5-9-18-14(15)10-11-23-18/h4-17,29-30H,3H2,1-2H3;2*3-16,28-29H,2H2,1H3,(H,30,31);5-11,14,27,29H,4,12-13H2,1-3H3;4-6,8-13,25-26H,3,7H2,1-2H3;7-12,25H,6H2,1-5H3;5-13,24-25H,4H2,1-3H3;5-14,24H,4H2,1-3H3;4-11,24-25,27H,3H2,1-2H3;4-12,23-24H,3H2,1-2H3,(H,25,26);4-11,24-25H,3H2,1-2H3;3-11,23-24H,1-2H3
InChIKeyNBEWFMKCCXBDCH-UHFFFAOYSA-N
MW4598.05 g/mol
LogP73.68
Rot. Bonds59

About 1-[3-(2-chloro-4-hydroxyphenyl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrol-2-yl]ethanone;1-[3-(2-chloro-4-methoxyphenyl)-5-(2,6-dimethoxyphenyl)-4-ethyl-1H-pyrrol-2-yl]ethanone;1-[3-(2-chloro-4-methoxyphenyl)-4-ethyl-5-[1-(2-hydroxyethyl)indol-4-yl]-1H-pyrrol-2-yl]ethanone;1-[3-(2-chlorophenyl)-5-(1H-indol-4-yl)-4-methyl-1H-pyrrol-2-yl]ethanone;1-[3-(2-chlorophenyl)-5-(1H-indol-4-yl)-4-propyl-1H-pyrrol-2-yl]ethanone;1-[3-(4-chloro-3-pyridinyl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrol-2-yl]ethanone;4-ethyl-5-(1H-indol-4-yl)-3-(3-methylphenyl)-1H-pyrrole-2-carboxylic acid;1-[4-ethyl-5-(1H-indol-4-yl)-3-(4-methylphenyl)-1H-pyrrol-2-yl]ethanone;bis(4-ethyl-5-(1H-indol-4-yl)-3-(3-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid);1-[4-ethyl-5-(1H-indol-4-yl)-3-(2-phenylphenyl)-1H-pyrrol-2-yl]ethanone;1-[4-ethyl-5-(1-methylindol-4-yl)-3-phenyl-1H-pyrrol-2-yl]ethanone

1-[3-(2-chloro-4-hydroxyphenyl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrol-2-yl]ethanone;1-[3-(2-chloro-4-methoxyphenyl)-5-(2,6-dimethoxyphenyl)-4-ethyl-1H-pyrrol-2-yl]ethanone;1-[3-(2-chloro-4-methoxyphenyl)-4-ethyl-5-[1-(2-hydroxyethyl)indol-4-yl]-1H-pyrrol-2-yl]ethanone;1-[3-(2-chlorophenyl)-5-(1H-indol-4-yl)-4-methyl-1H-pyrrol-2-yl]ethanone;1-[3-(2-chlorophenyl)-5-(1H-indol-4-yl)-4-propyl-1H-pyrrol-2-yl]ethanone;1-[3-(4-chloro-3-pyridinyl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrol-2-yl]ethanone;4-ethyl-5-(1H-indol-4-yl)-3-(3-methylphenyl)-1H-pyrrole-2-carboxylic acid;1-[4-ethyl-5-(1H-indol-4-yl)-3-(4-methylphenyl)-1H-pyrrol-2-yl]ethanone;bis(4-ethyl-5-(1H-indol-4-yl)-3-(3-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid);1-[4-ethyl-5-(1H-indol-4-yl)-3-(2-phenylphenyl)-1H-pyrrol-2-yl]ethanone;1-[4-ethyl-5-(1-methylindol-4-yl)-3-phenyl-1H-pyrrol-2-yl]ethanone (PubChem CID 165033720) has the molecular formula C285H256Cl6N24O23 and a molecular weight of 4598.05 g/mol. Its IUPAC name is 1-[3-(2-chloro-4-hydroxyphenyl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrol-2-yl]ethanone;1-[3-(2-chloro-4-methoxyphenyl)-5-(2,6-dimethoxyphenyl)-4-ethyl-1H-pyrrol-2-yl]ethanone;1-[3-(2-chloro-4-methoxyphenyl)-4-ethyl-5-[1-(2-hydroxyethyl)indol-4-yl]-1H-pyrrol-2-yl]ethanone;1-[3-(2-chlorophenyl)-5-(1H-indol-4-yl)-4-methyl-1H-pyrrol-2-yl]ethanone;1-[3-(2-chlorophenyl)-5-(1H-indol-4-yl)-4-propyl-1H-pyrrol-2-yl]ethanone;1-[3-(4-chloro-3-pyridinyl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrol-2-yl]ethanone;4-ethyl-5-(1H-indol-4-yl)-3-(3-methylphenyl)-1H-pyrrole-2-carboxylic acid;1-[4-ethyl-5-(1H-indol-4-yl)-3-(4-methylphenyl)-1H-pyrrol-2-yl]ethanone;bis(4-ethyl-5-(1H-indol-4-yl)-3-(3-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid);1-[4-ethyl-5-(1H-indol-4-yl)-3-(2-phenylphenyl)-1H-pyrrol-2-yl]ethanone;1-[4-ethyl-5-(1-methylindol-4-yl)-3-phenyl-1H-pyrrol-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-chloro-4-hydroxyphenyl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrol-2-yl]ethanone;1-[3-(2-chloro-4-methoxyphenyl)-5-(2,6-dimethoxyphenyl)-4-ethyl-1H-pyrrol-2-yl]ethanone;1-[3-(2-chloro-4-methoxyphenyl)-4-ethyl-5-[1-(2-hydroxyethyl)indol-4-yl]-1H-pyrrol-2-yl]ethanone;1-[3-(2-chlorophenyl)-5-(1H-indol-4-yl)-4-methyl-1H-pyrrol-2-yl]ethanone;1-[3-(2-chlorophenyl)-5-(1H-indol-4-yl)-4-propyl-1H-pyrrol-2-yl]ethanone;1-[3-(4-chloro-3-pyridinyl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrol-2-yl]ethanone;4-ethyl-5-(1H-indol-4-yl)-3-(3-methylphenyl)-1H-pyrrole-2-carboxylic acid;1-[4-ethyl-5-(1H-indol-4-yl)-3-(4-methylphenyl)-1H-pyrrol-2-yl]ethanone;bis(4-ethyl-5-(1H-indol-4-yl)-3-(3-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid);1-[4-ethyl-5-(1H-indol-4-yl)-3-(2-phenylphenyl)-1H-pyrrol-2-yl]ethanone;1-[4-ethyl-5-(1-methylindol-4-yl)-3-phenyl-1H-pyrrol-2-yl]ethanone
PubChem CID165033720
Molecular FormulaC285H256Cl6N24O23
Molecular Weight4598.05 g/mol
Exact Mass4591.77
IUPAC Name1-[3-(2-chloro-4-hydroxyphenyl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrol-2-yl]ethanone;1-[3-(2-chloro-4-methoxyphenyl)-5-(2,6-dimethoxyphenyl)-4-ethyl-1H-pyrrol-2-yl]ethanone;1-[3-(2-chloro-4-methoxyphenyl)-4-ethyl-5-[1-(2-hydroxyethyl)indol-4-yl]-1H-pyrrol-2-yl]ethanone;1-[3-(2-chlorophenyl)-5-(1H-indol-4-yl)-4-methyl-1H-pyrrol-2-yl]ethanone;1-[3-(2-chlorophenyl)-5-(1H-indol-4-yl)-4-propyl-1H-pyrrol-2-yl]ethanone;1-[3-(4-chloro-3-pyridinyl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrol-2-yl]ethanone;4-ethyl-5-(1H-indol-4-yl)-3-(3-methylphenyl)-1H-pyrrole-2-carboxylic acid;1-[4-ethyl-5-(1H-indol-4-yl)-3-(4-methylphenyl)-1H-pyrrol-2-yl]ethanone;bis(4-ethyl-5-(1H-indol-4-yl)-3-(3-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid);1-[4-ethyl-5-(1H-indol-4-yl)-3-(2-phenylphenyl)-1H-pyrrol-2-yl]ethanone;1-[4-ethyl-5-(1-methylindol-4-yl)-3-phenyl-1H-pyrrol-2-yl]ethanone
SMILESCC(=O)c1[nH]c(-c2cccc3[nH]ccc23)c(C)c1-c1ccccc1Cl.CCCc1c(-c2cccc3[nH]ccc23)[nH]c(C(C)=O)c1-c1ccccc1Cl.CCc1c(-c2c(OC)cccc2OC)[nH]c(C(C)=O)c1-c1ccc(OC)cc1Cl.CCc1c(-c2cccc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cccc(C)c1.CCc1c(-c2cccc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cccc(Oc2ccccc2)c1.CCc1c(-c2cccc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cccc(Oc2ccccc2)c1.CCc1c(-c2cccc3[nH]ccc23)[nH]c(C(C)=O)c1-c1ccc(C)cc1.CCc1c(-c2cccc3[nH]ccc23)[nH]c(C(C)=O)c1-c1ccc(O)cc1Cl.CCc1c(-c2cccc3[nH]ccc23)[nH]c(C(C)=O)c1-c1ccccc1-c1ccccc1.CCc1c(-c2cccc3[nH]ccc23)[nH]c(C(C)=O)c1-c1cnccc1Cl.CCc1c(-c2cccc3c2ccn3C)[nH]c(C(C)=O)c1-c1ccccc1.CCc1c(-c2cccc3c2ccn3CCO)[nH]c(C(C)=O)c1-c1ccc(OC)cc1Cl
InChIInChI=1S/C28H24N2O.2C27H22N2O3.C25H25ClN2O3.C23H21ClN2O.C23H24ClNO4.2C23H22N2O.C22H19ClN2O2.C22H20N2O2.C21H18ClN3O.C21H17ClN2O/c1-3-20-26(23-13-8-7-12-21(23)19-10-5-4-6-11-19)27(18(2)31)30-28(20)24-14-9-15-25-22(24)16-17-29-25;2*1-2-20-24(17-8-6-11-19(16-17)32-18-9-4-3-5-10-18)26(27(30)31)29-25(20)22-12-7-13-23-21(22)14-15-28-23;1-4-17-23(20-9-8-16(31-3)14-21(20)26)24(15(2)30)27-25(17)19-6-5-7-22-18(19)10-11-28(22)12-13-29;1-3-7-18-21(17-8-4-5-10-19(17)24)22(14(2)27)26-23(18)16-9-6-11-20-15(16)12-13-25-20;1-6-15-20(16-11-10-14(27-3)12-17(16)24)22(13(2)26)25-23(15)21-18(28-4)8-7-9-19(21)29-5;1-4-17-21(16-10-8-14(2)9-11-16)22(15(3)26)25-23(17)19-6-5-7-20-18(19)12-13-24-20;1-4-17-21(16-9-6-5-7-10-16)22(15(2)26)24-23(17)19-11-8-12-20-18(19)13-14-25(20)3;1-3-14-20(17-8-7-13(27)11-18(17)23)21(12(2)26)25-22(14)16-5-4-6-19-15(16)9-10-24-19;1-3-15-19(14-7-4-6-13(2)12-14)21(22(25)26)24-20(15)17-8-5-9-18-16(17)10-11-23-18;1-3-13-19(16-11-23-9-8-17(16)22)20(12(2)26)25-21(13)15-5-4-6-18-14(15)7-10-24-18;1-12-19(16-6-3-4-8-17(16)22)21(13(2)25)24-20(12)15-7-5-9-18-14(15)10-11-23-18/h4-17,29-30H,3H2,1-2H3;2*3-16,28-29H,2H2,1H3,(H,30,31);5-11,14,27,29H,4,12-13H2,1-3H3;4-6,8-13,25-26H,3,7H2,1-2H3;7-12,25H,6H2,1-5H3;5-13,24-25H,4H2,1-3H3;5-14,24H,4H2,1-3H3;4-11,24-25,27H,3H2,1-2H3;4-12,23-24H,3H2,1-2H3,(H,25,26);4-11,24-25H,3H2,1-2H3;3-11,23-24H,1-2H3
InChIKeyNBEWFMKCCXBDCH-UHFFFAOYSA-N
XLogP73.68
TPSA715.71 Ų
H-Bond Donors26
H-Bond Acceptors23
Rotatable Bonds59
Heavy Atoms338
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004598.05
LogP ≤ 573.68
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1023

Analyze 1-[3-(2-chloro-4-hydroxyphenyl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrol-2-yl]ethanone;1-[3-(2-chloro-4-methoxyphenyl)-5-(2,6-dimethoxyphenyl)-4-ethyl-1H-pyrrol-2-yl]ethanone;1-[3-(2-chloro-4-methoxyphenyl)-4-ethyl-5-[1-(2-hydroxyethyl)indol-4-yl]-1H-pyrrol-2-yl]ethanone;1-[3-(2-chlorophenyl)-5-(1H-indol-4-yl)-4-methyl-1H-pyrrol-2-yl]ethanone;1-[3-(2-chlorophenyl)-5-(1H-indol-4-yl)-4-propyl-1H-pyrrol-2-yl]ethanone;1-[3-(4-chloro-3-pyridinyl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrol-2-yl]ethanone;4-ethyl-5-(1H-indol-4-yl)-3-(3-methylphenyl)-1H-pyrrole-2-carboxylic acid;1-[4-ethyl-5-(1H-indol-4-yl)-3-(4-methylphenyl)-1H-pyrrol-2-yl]ethanone;bis(4-ethyl-5-(1H-indol-4-yl)-3-(3-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid);1-[4-ethyl-5-(1H-indol-4-yl)-3-(2-phenylphenyl)-1H-pyrrol-2-yl]ethanone;1-[4-ethyl-5-(1-methylindol-4-yl)-3-phenyl-1H-pyrrol-2-yl]ethanone with MolForge

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Related Compounds

4-ethyl-5-(1H-indol-4-yl)-3-(3-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 146350122
3-(5-chloro-7-ethyl-1H-indol-4-yl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid;1-[3-(2-chloro-4-methoxyphenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-2-yl]ethanone;1-[4-ethyl-3,5-bis(1H-indol-4-yl)-1H-pyrrol-2-yl]ethenol;4-ethyl-3-(1-ethylindol-4-yl)-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid
CID 165040253
3-(2-chloro-4-methoxyphenyl)-5-(2,6-dimethoxyphenyl)-4-ethyl-1H-pyrrole-2-carboxylic acid
CID 146350288
4-ethyl-5-(1H-indol-4-yl)-3-(6-methoxy-1,4-dihydrocyclopenta[b]pyrrol-4-yl)-1H-pyrrole-2-carboxylic acid
CID 146350058
ethyl 3-(2-chloro-4-methoxyphenyl)-4-ethyl-1H-pyrrole-2-carboxylate
CID 155906970
2-[4-[2-carboxy-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-3-yl]indol-1-yl]ethanesulfinate
CID 153319411
3-(2-chlorophenyl)-7-hydroxy-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one;3-(3-chlorophenyl)-7-hydroxy-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one;7-hydroxy-3-(4-methylphenyl)-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one
CID 91504785
5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[1-[2-(sulfinomethylamino)ethyl]indol-4-yl]-1H-pyrrole-2-carboxylic acid
CID 153319414
ethyl 2-(2-chlorophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 22480990
ethyl 5-methoxy-1-methyl-2-phenyl-6-pyridin-3-ylindole-3-carboxylate
CID 71694793
2-(4-chloroindol-1-yl)-N-(2,5-dimethoxyphenyl)acetamide
CID 39314339
(2-chloro-4-phenoxyphenyl)phosphanyl-(2-methoxyphenyl)methanone
CID 18513550

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chloro-4-hydroxyphenyl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrol-2-yl]ethanone;1-[3-(2-chloro-4-methoxyphenyl)-5-(2,6-dimethoxyphenyl)-4-ethyl-1H-pyrrol-2-yl]ethanone;1-[3-(2-chloro-4-methoxyphenyl)-4-ethyl-5-[1-(2-hydroxyethyl)indol-4-yl]-1H-pyrrol-2-yl]ethanone;1-[3-(2-chlorophenyl)-5-(1H-indol-4-yl)-4-methyl-1H-pyrrol-2-yl]ethanone;1-[3-(2-chlorophenyl)-5-(1H-indol-4-yl)-4-propyl-1H-pyrrol-2-yl]ethanone;1-[3-(4-chloro-3-pyridinyl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrol-2-yl]ethanone;4-ethyl-5-(1H-indol-4-yl)-3-(3-methylphenyl)-1H-pyrrole-2-carboxylic acid;1-[4-ethyl-5-(1H-indol-4-yl)-3-(4-methylphenyl)-1H-pyrrol-2-yl]ethanone;bis(4-ethyl-5-(1H-indol-4-yl)-3-(3-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid);1-[4-ethyl-5-(1H-indol-4-yl)-3-(2-phenylphenyl)-1H-pyrrol-2-yl]ethanone;1-[4-ethyl-5-(1-methylindol-4-yl)-3-phenyl-1H-pyrrol-2-yl]ethanone?
The IUPAC name of 1-[3-(2-chloro-4-hydroxyphenyl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrol-2-yl]ethanone;1-[3-(2-chloro-4-methoxyphenyl)-5-(2,6-dimethoxyphenyl)-4-ethyl-1H-pyrrol-2-yl]ethanone;1-[3-(2-chloro-4-methoxyphenyl)-4-ethyl-5-[1-(2-hydroxyethyl)indol-4-yl]-1H-pyrrol-2-yl]ethanone;1-[3-(2-chlorophenyl)-5-(1H-indol-4-yl)-4-methyl-1H-pyrrol-2-yl]ethanone;1-[3-(2-chlorophenyl)-5-(1H-indol-4-yl)-4-propyl-1H-pyrrol-2-yl]ethanone;1-[3-(4-chloro-3-pyridinyl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrol-2-yl]ethanone;4-ethyl-5-(1H-indol-4-yl)-3-(3-methylphenyl)-1H-pyrrole-2-carboxylic acid;1-[4-ethyl-5-(1H-indol-4-yl)-3-(4-methylphenyl)-1H-pyrrol-2-yl]ethanone;bis(4-ethyl-5-(1H-indol-4-yl)-3-(3-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid);1-[4-ethyl-5-(1H-indol-4-yl)-3-(2-phenylphenyl)-1H-pyrrol-2-yl]ethanone;1-[4-ethyl-5-(1-methylindol-4-yl)-3-phenyl-1H-pyrrol-2-yl]ethanone (CID 165033720) is 1-[3-(2-chloro-4-hydroxyphenyl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrol-2-yl]ethanone;1-[3-(2-chloro-4-methoxyphenyl)-5-(2,6-dimethoxyphenyl)-4-ethyl-1H-pyrrol-2-yl]ethanone;1-[3-(2-chloro-4-methoxyphenyl)-4-ethyl-5-[1-(2-hydroxyethyl)indol-4-yl]-1H-pyrrol-2-yl]ethanone;1-[3-(2-chlorophenyl)-5-(1H-indol-4-yl)-4-methyl-1H-pyrrol-2-yl]ethanone;1-[3-(2-chlorophenyl)-5-(1H-indol-4-yl)-4-propyl-1H-pyrrol-2-yl]ethanone;1-[3-(4-chloro-3-pyridinyl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrol-2-yl]ethanone;4-ethyl-5-(1H-indol-4-yl)-3-(3-methylphenyl)-1H-pyrrole-2-carboxylic acid;1-[4-ethyl-5-(1H-indol-4-yl)-3-(4-methylphenyl)-1H-pyrrol-2-yl]ethanone;bis(4-ethyl-5-(1H-indol-4-yl)-3-(3-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid);1-[4-ethyl-5-(1H-indol-4-yl)-3-(2-phenylphenyl)-1H-pyrrol-2-yl]ethanone;1-[4-ethyl-5-(1-methylindol-4-yl)-3-phenyl-1H-pyrrol-2-yl]ethanone.
What is the SMILES notation for 1-[3-(2-chloro-4-hydroxyphenyl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrol-2-yl]ethanone;1-[3-(2-chloro-4-methoxyphenyl)-5-(2,6-dimethoxyphenyl)-4-ethyl-1H-pyrrol-2-yl]ethanone;1-[3-(2-chloro-4-methoxyphenyl)-4-ethyl-5-[1-(2-hydroxyethyl)indol-4-yl]-1H-pyrrol-2-yl]ethanone;1-[3-(2-chlorophenyl)-5-(1H-indol-4-yl)-4-methyl-1H-pyrrol-2-yl]ethanone;1-[3-(2-chlorophenyl)-5-(1H-indol-4-yl)-4-propyl-1H-pyrrol-2-yl]ethanone;1-[3-(4-chloro-3-pyridinyl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrol-2-yl]ethanone;4-ethyl-5-(1H-indol-4-yl)-3-(3-methylphenyl)-1H-pyrrole-2-carboxylic acid;1-[4-ethyl-5-(1H-indol-4-yl)-3-(4-methylphenyl)-1H-pyrrol-2-yl]ethanone;bis(4-ethyl-5-(1H-indol-4-yl)-3-(3-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid);1-[4-ethyl-5-(1H-indol-4-yl)-3-(2-phenylphenyl)-1H-pyrrol-2-yl]ethanone;1-[4-ethyl-5-(1-methylindol-4-yl)-3-phenyl-1H-pyrrol-2-yl]ethanone?
The canonical SMILES for 1-[3-(2-chloro-4-hydroxyphenyl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrol-2-yl]ethanone;1-[3-(2-chloro-4-methoxyphenyl)-5-(2,6-dimethoxyphenyl)-4-ethyl-1H-pyrrol-2-yl]ethanone;1-[3-(2-chloro-4-methoxyphenyl)-4-ethyl-5-[1-(2-hydroxyethyl)indol-4-yl]-1H-pyrrol-2-yl]ethanone;1-[3-(2-chlorophenyl)-5-(1H-indol-4-yl)-4-methyl-1H-pyrrol-2-yl]ethanone;1-[3-(2-chlorophenyl)-5-(1H-indol-4-yl)-4-propyl-1H-pyrrol-2-yl]ethanone;1-[3-(4-chloro-3-pyridinyl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrol-2-yl]ethanone;4-ethyl-5-(1H-indol-4-yl)-3-(3-methylphenyl)-1H-pyrrole-2-carboxylic acid;1-[4-ethyl-5-(1H-indol-4-yl)-3-(4-methylphenyl)-1H-pyrrol-2-yl]ethanone;bis(4-ethyl-5-(1H-indol-4-yl)-3-(3-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid);1-[4-ethyl-5-(1H-indol-4-yl)-3-(2-phenylphenyl)-1H-pyrrol-2-yl]ethanone;1-[4-ethyl-5-(1-methylindol-4-yl)-3-phenyl-1H-pyrrol-2-yl]ethanone is CC(=O)c1[nH]c(-c2cccc3[nH]ccc23)c(C)c1-c1ccccc1Cl.CCCc1c(-c2cccc3[nH]ccc23)[nH]c(C(C)=O)c1-c1ccccc1Cl.CCc1c(-c2c(OC)cccc2OC)[nH]c(C(C)=O)c1-c1ccc(OC)cc1Cl.CCc1c(-c2cccc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cccc(C)c1.CCc1c(-c2cccc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cccc(Oc2ccccc2)c1.CCc1c(-c2cccc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cccc(Oc2ccccc2)c1.CCc1c(-c2cccc3[nH]ccc23)[nH]c(C(C)=O)c1-c1ccc(C)cc1.CCc1c(-c2cccc3[nH]ccc23)[nH]c(C(C)=O)c1-c1ccc(O)cc1Cl.CCc1c(-c2cccc3[nH]ccc23)[nH]c(C(C)=O)c1-c1ccccc1-c1ccccc1.CCc1c(-c2cccc3[nH]ccc23)[nH]c(C(C)=O)c1-c1cnccc1Cl.CCc1c(-c2cccc3c2ccn3C)[nH]c(C(C)=O)c1-c1ccccc1.CCc1c(-c2cccc3c2ccn3CCO)[nH]c(C(C)=O)c1-c1ccc(OC)cc1Cl.
What is the InChIKey of 1-[3-(2-chloro-4-hydroxyphenyl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrol-2-yl]ethanone;1-[3-(2-chloro-4-methoxyphenyl)-5-(2,6-dimethoxyphenyl)-4-ethyl-1H-pyrrol-2-yl]ethanone;1-[3-(2-chloro-4-methoxyphenyl)-4-ethyl-5-[1-(2-hydroxyethyl)indol-4-yl]-1H-pyrrol-2-yl]ethanone;1-[3-(2-chlorophenyl)-5-(1H-indol-4-yl)-4-methyl-1H-pyrrol-2-yl]ethanone;1-[3-(2-chlorophenyl)-5-(1H-indol-4-yl)-4-propyl-1H-pyrrol-2-yl]ethanone;1-[3-(4-chloro-3-pyridinyl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrol-2-yl]ethanone;4-ethyl-5-(1H-indol-4-yl)-3-(3-methylphenyl)-1H-pyrrole-2-carboxylic acid;1-[4-ethyl-5-(1H-indol-4-yl)-3-(4-methylphenyl)-1H-pyrrol-2-yl]ethanone;bis(4-ethyl-5-(1H-indol-4-yl)-3-(3-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid);1-[4-ethyl-5-(1H-indol-4-yl)-3-(2-phenylphenyl)-1H-pyrrol-2-yl]ethanone;1-[4-ethyl-5-(1-methylindol-4-yl)-3-phenyl-1H-pyrrol-2-yl]ethanone?
The InChIKey is NBEWFMKCCXBDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O.2C27H22N2O3.C25H25ClN2O3.C23H21ClN2O.C23H24ClNO4.2C23H22N2O.C22H19ClN2O2.C22H20N2O2.C21H18ClN3O.C21H17ClN2O/c1-3-20-26(23-13-8-7-12-21(23)19-10-5-4-6-11-19)27(18(2)31)30-28(20)24-14-9-15-25-22(24)16-17-29-25;2*1-2-20-24(17-8-6-11-19(16-17)32-18-9-4-3-5-10-18)26(27(30)31)29-25(20)22-12-7-13-23-21(22)14-15-28-23;1-4-17-23(20-9-8-16(31-3)14-21(20)26)24(15(2)30)27-25(17)19-6-5-7-22-18(19)10-11-28(22)12-13-29;1-3-7-18-21(17-8-4-5-10-19(17)24)22(14(2)27)26-23(18)16-9-6-11-20-15(16)12-13-25-20;1-6-15-20(16-11-10-14(27-3)12-17(16)24)22(13(2)26)25-23(15)21-18(28-4)8-7-9-19(21)29-5;1-4-17-21(16-10-8-14(2)9-11-16)22(15(3)26)25-23(17)19-6-5-7-20-18(19)12-13-24-20;1-4-17-21(16-9-6-5-7-10-16)22(15(2)26)24-23(17)19-11-8-12-20-18(19)13-14-25(20)3;1-3-14-20(17-8-7-13(27)11-18(17)23)21(12(2)26)25-22(14)16-5-4-6-19-15(16)9-10-24-19;1-3-15-19(14-7-4-6-13(2)12-14)21(22(25)26)24-20(15)17-8-5-9-18-16(17)10-11-23-18;1-3-13-19(16-11-23-9-8-17(16)22)20(12(2)26)25-21(13)15-5-4-6-18-14(15)7-10-24-18;1-12-19(16-6-3-4-8-17(16)22)21(13(2)25)24-20(12)15-7-5-9-18-14(15)10-11-23-18/h4-17,29-30H,3H2,1-2H3;2*3-16,28-29H,2H2,1H3,(H,30,31);5-11,14,27,29H,4,12-13H2,1-3H3;4-6,8-13,25-26H,3,7H2,1-2H3;7-12,25H,6H2,1-5H3;5-13,24-25H,4H2,1-3H3;5-14,24H,4H2,1-3H3;4-11,24-25,27H,3H2,1-2H3;4-12,23-24H,3H2,1-2H3,(H,25,26);4-11,24-25H,3H2,1-2H3;3-11,23-24H,1-2H3.
What are the key properties of 1-[3-(2-chloro-4-hydroxyphenyl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrol-2-yl]ethanone;1-[3-(2-chloro-4-methoxyphenyl)-5-(2,6-dimethoxyphenyl)-4-ethyl-1H-pyrrol-2-yl]ethanone;1-[3-(2-chloro-4-methoxyphenyl)-4-ethyl-5-[1-(2-hydroxyethyl)indol-4-yl]-1H-pyrrol-2-yl]ethanone;1-[3-(2-chlorophenyl)-5-(1H-indol-4-yl)-4-methyl-1H-pyrrol-2-yl]ethanone;1-[3-(2-chlorophenyl)-5-(1H-indol-4-yl)-4-propyl-1H-pyrrol-2-yl]ethanone;1-[3-(4-chloro-3-pyridinyl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrol-2-yl]ethanone;4-ethyl-5-(1H-indol-4-yl)-3-(3-methylphenyl)-1H-pyrrole-2-carboxylic acid;1-[4-ethyl-5-(1H-indol-4-yl)-3-(4-methylphenyl)-1H-pyrrol-2-yl]ethanone;bis(4-ethyl-5-(1H-indol-4-yl)-3-(3-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid);1-[4-ethyl-5-(1H-indol-4-yl)-3-(2-phenylphenyl)-1H-pyrrol-2-yl]ethanone;1-[4-ethyl-5-(1-methylindol-4-yl)-3-phenyl-1H-pyrrol-2-yl]ethanone?
1-[3-(2-chloro-4-hydroxyphenyl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrol-2-yl]ethanone;1-[3-(2-chloro-4-methoxyphenyl)-5-(2,6-dimethoxyphenyl)-4-ethyl-1H-pyrrol-2-yl]ethanone;1-[3-(2-chloro-4-methoxyphenyl)-4-ethyl-5-[1-(2-hydroxyethyl)indol-4-yl]-1H-pyrrol-2-yl]ethanone;1-[3-(2-chlorophenyl)-5-(1H-indol-4-yl)-4-methyl-1H-pyrrol-2-yl]ethanone;1-[3-(2-chlorophenyl)-5-(1H-indol-4-yl)-4-propyl-1H-pyrrol-2-yl]ethanone;1-[3-(4-chloro-3-pyridinyl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrol-2-yl]ethanone;4-ethyl-5-(1H-indol-4-yl)-3-(3-methylphenyl)-1H-pyrrole-2-carboxylic acid;1-[4-ethyl-5-(1H-indol-4-yl)-3-(4-methylphenyl)-1H-pyrrol-2-yl]ethanone;bis(4-ethyl-5-(1H-indol-4-yl)-3-(3-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid);1-[4-ethyl-5-(1H-indol-4-yl)-3-(2-phenylphenyl)-1H-pyrrol-2-yl]ethanone;1-[4-ethyl-5-(1-methylindol-4-yl)-3-phenyl-1H-pyrrol-2-yl]ethanone has a molecular weight of 4598.05 g/mol, XLogP of 73.68, 59 rotatable bonds, 26 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chloro-4-hydroxyphenyl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrol-2-yl]ethanone;1-[3-(2-chloro-4-methoxyphenyl)-5-(2,6-dimethoxyphenyl)-4-ethyl-1H-pyrrol-2-yl]ethanone;1-[3-(2-chloro-4-methoxyphenyl)-4-ethyl-5-[1-(2-hydroxyethyl)indol-4-yl]-1H-pyrrol-2-yl]ethanone;1-[3-(2-chlorophenyl)-5-(1H-indol-4-yl)-4-methyl-1H-pyrrol-2-yl]ethanone;1-[3-(2-chlorophenyl)-5-(1H-indol-4-yl)-4-propyl-1H-pyrrol-2-yl]ethanone;1-[3-(4-chloro-3-pyridinyl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrol-2-yl]ethanone;4-ethyl-5-(1H-indol-4-yl)-3-(3-methylphenyl)-1H-pyrrole-2-carboxylic acid;1-[4-ethyl-5-(1H-indol-4-yl)-3-(4-methylphenyl)-1H-pyrrol-2-yl]ethanone;bis(4-ethyl-5-(1H-indol-4-yl)-3-(3-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid);1-[4-ethyl-5-(1H-indol-4-yl)-3-(2-phenylphenyl)-1H-pyrrol-2-yl]ethanone;1-[4-ethyl-5-(1-methylindol-4-yl)-3-phenyl-1H-pyrrol-2-yl]ethanone is sourced from PubChem (CID 165033720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).