3-(5-chloro-1H-indol-4-yl)-5-(5-fluoro-1H-indol-7-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(2-ethyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(2-ethyl-6-methoxy-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(3-ethyl-6-methyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[3-(2-hydroxyethyl)-1H-indol-4-yl]-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(6-methoxy-2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[3-(3-methylbutyl)-1H-indol-4-yl]-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxamide;5-(6-fluoro-1H-indol-4-yl)-3-(2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid

C238H224ClF9N28O20 — CID 164950968

IUPAC3-(5-chloro-1H-indol-4-yl)-5-(5-fluoro-1H-indol-7-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(2-ethyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(2-ethyl-6-methoxy-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(3-ethyl-6-methyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[3-(2-hydroxyethyl)-1H-indol-4-yl]-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(6-methoxy-2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[3-(3-methylbutyl)-1H-indol-4-yl]-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxamide;5-(6-fluoro-1H-indol-4-yl)-3-(2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
SMILESCC(C)CCc1c[nH]c2cccc(-c3c(C(=O)O)[nH]c(-c4cc(F)cc5[nH]ccc45)c3CC(C)C)c12.CC(C)Cc1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cccc2[nH]cc(CCO)c12.CC(C)c1c(-c2cc(F)cc3cc[nH]c23)[nH]c(C(=O)O)c1-c1c(Cl)ccc2[nH]ccc12.CCc1c[nH]c2cc(C)cc(-c3c(C(=O)O)[nH]c(-c4cc(F)cc5[nH]ccc45)c3CC(C)C)c12.CCc1cc2c(-c3c(C(=O)O)[nH]c(-c4cc(F)cc5[nH]ccc45)c3C(C)C)cc(OC)cc2[nH]1.CCc1cc2c(-c3c(C(=O)O)[nH]c(-c4cc(F)cc5[nH]ccc45)c3C(C)C)cccc2[nH]1.COc1cc(-c2c(C(=O)O)[nH]c(-c3cc(F)cc4[nH]ccc34)c2C(C)C)c2cc(C)[nH]c2c1.Cc1cc2c(-c3c(C(=O)O)[nH]c(-c4cc(F)cc5[nH]ccc45)c3C(C)C)cccc2[nH]1.Cc1cc2c(-c3c(C(N)=O)[nH]c(-c4cc(F)cc5[nH]ccc45)c3C(C)C)cccc2[nH]1
InChIInChI=1S/C30H32FN3O2.C28H28FN3O2.2C27H26FN3O3.C26H24FN3O3.C26H24FN3O2.C25H23FN4O.C25H22FN3O2.C24H19ClFN3O2/c1-16(2)8-9-18-15-33-24-7-5-6-21(26(18)24)27-23(12-17(3)4)28(34-29(27)30(35)36)22-13-19(31)14-25-20(22)10-11-32-25;1-5-16-13-31-23-10-15(4)9-20(24(16)23)25-21(8-14(2)3)26(32-27(25)28(33)34)19-11-17(29)12-22-18(19)6-7-30-22;1-5-15-10-18-19(11-16(34-4)12-22(18)30-15)24-23(13(2)3)25(31-26(24)27(32)33)20-8-14(28)9-21-17(20)6-7-29-21;1-14(2)10-20-24(18-4-3-5-21-23(18)15(7-9-32)13-30-21)26(27(33)34)31-25(20)19-11-16(28)12-22-17(19)6-8-29-22;1-12(2)22-23(18-10-15(33-4)11-21-17(18)7-13(3)29-21)25(26(31)32)30-24(22)19-8-14(27)9-20-16(19)5-6-28-20;1-4-15-12-18-17(6-5-7-20(18)29-15)23-22(13(2)3)24(30-25(23)26(31)32)19-10-14(27)11-21-16(19)8-9-28-21;1-12(2)21-22(16-5-4-6-19-17(16)9-13(3)29-19)24(25(27)31)30-23(21)18-10-14(26)11-20-15(18)7-8-28-20;1-12(2)21-22(16-5-4-6-19-17(16)9-13(3)28-19)24(25(30)31)29-23(21)18-10-14(26)11-20-15(18)7-8-27-20;1-11(2)18-20(19-14-6-8-27-17(14)4-3-16(19)25)23(24(30)31)29-22(18)15-10-13(26)9-12-5-7-28-21(12)15/h5-7,10-11,13-17,32-34H,8-9,12H2,1-4H3,(H,35,36);6-7,9-14,30-32H,5,8H2,1-4H3,(H,33,34);6-13,29-31H,5H2,1-4H3,(H,32,33);3-6,8,11-14,29-32H,7,9-10H2,1-2H3,(H,33,34);5-12,28-30H,1-4H3,(H,31,32);5-13,28-30H,4H2,1-3H3,(H,31,32);4-12,28-30H,1-3H3,(H2,27,31);4-12,27-29H,1-3H3,(H,30,31);3-11,27-29H,1-2H3,(H,30,31)
InChIKeyANHGCSAGIFKKEV-UHFFFAOYSA-N
MW4003.02 g/mol
LogP60.79
Rot. Bonds49

About 3-(5-chloro-1H-indol-4-yl)-5-(5-fluoro-1H-indol-7-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(2-ethyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(2-ethyl-6-methoxy-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(3-ethyl-6-methyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[3-(2-hydroxyethyl)-1H-indol-4-yl]-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(6-methoxy-2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[3-(3-methylbutyl)-1H-indol-4-yl]-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxamide;5-(6-fluoro-1H-indol-4-yl)-3-(2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid

3-(5-chloro-1H-indol-4-yl)-5-(5-fluoro-1H-indol-7-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(2-ethyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(2-ethyl-6-methoxy-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(3-ethyl-6-methyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[3-(2-hydroxyethyl)-1H-indol-4-yl]-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(6-methoxy-2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[3-(3-methylbutyl)-1H-indol-4-yl]-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxamide;5-(6-fluoro-1H-indol-4-yl)-3-(2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid (PubChem CID 164950968) has the molecular formula C238H224ClF9N28O20 and a molecular weight of 4003.02 g/mol. Its IUPAC name is 3-(5-chloro-1H-indol-4-yl)-5-(5-fluoro-1H-indol-7-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(2-ethyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(2-ethyl-6-methoxy-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(3-ethyl-6-methyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[3-(2-hydroxyethyl)-1H-indol-4-yl]-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(6-methoxy-2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[3-(3-methylbutyl)-1H-indol-4-yl]-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxamide;5-(6-fluoro-1H-indol-4-yl)-3-(2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-(5-chloro-1H-indol-4-yl)-5-(5-fluoro-1H-indol-7-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(2-ethyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(2-ethyl-6-methoxy-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(3-ethyl-6-methyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[3-(2-hydroxyethyl)-1H-indol-4-yl]-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(6-methoxy-2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[3-(3-methylbutyl)-1H-indol-4-yl]-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxamide;5-(6-fluoro-1H-indol-4-yl)-3-(2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
PubChem CID164950968
Molecular FormulaC238H224ClF9N28O20
Molecular Weight4003.02 g/mol
Exact Mass3999.69
IUPAC Name3-(5-chloro-1H-indol-4-yl)-5-(5-fluoro-1H-indol-7-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(2-ethyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(2-ethyl-6-methoxy-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(3-ethyl-6-methyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[3-(2-hydroxyethyl)-1H-indol-4-yl]-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(6-methoxy-2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[3-(3-methylbutyl)-1H-indol-4-yl]-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxamide;5-(6-fluoro-1H-indol-4-yl)-3-(2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
SMILESCC(C)CCc1c[nH]c2cccc(-c3c(C(=O)O)[nH]c(-c4cc(F)cc5[nH]ccc45)c3CC(C)C)c12.CC(C)Cc1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cccc2[nH]cc(CCO)c12.CC(C)c1c(-c2cc(F)cc3cc[nH]c23)[nH]c(C(=O)O)c1-c1c(Cl)ccc2[nH]ccc12.CCc1c[nH]c2cc(C)cc(-c3c(C(=O)O)[nH]c(-c4cc(F)cc5[nH]ccc45)c3CC(C)C)c12.CCc1cc2c(-c3c(C(=O)O)[nH]c(-c4cc(F)cc5[nH]ccc45)c3C(C)C)cc(OC)cc2[nH]1.CCc1cc2c(-c3c(C(=O)O)[nH]c(-c4cc(F)cc5[nH]ccc45)c3C(C)C)cccc2[nH]1.COc1cc(-c2c(C(=O)O)[nH]c(-c3cc(F)cc4[nH]ccc34)c2C(C)C)c2cc(C)[nH]c2c1.Cc1cc2c(-c3c(C(=O)O)[nH]c(-c4cc(F)cc5[nH]ccc45)c3C(C)C)cccc2[nH]1.Cc1cc2c(-c3c(C(N)=O)[nH]c(-c4cc(F)cc5[nH]ccc45)c3C(C)C)cccc2[nH]1
InChIInChI=1S/C30H32FN3O2.C28H28FN3O2.2C27H26FN3O3.C26H24FN3O3.C26H24FN3O2.C25H23FN4O.C25H22FN3O2.C24H19ClFN3O2/c1-16(2)8-9-18-15-33-24-7-5-6-21(26(18)24)27-23(12-17(3)4)28(34-29(27)30(35)36)22-13-19(31)14-25-20(22)10-11-32-25;1-5-16-13-31-23-10-15(4)9-20(24(16)23)25-21(8-14(2)3)26(32-27(25)28(33)34)19-11-17(29)12-22-18(19)6-7-30-22;1-5-15-10-18-19(11-16(34-4)12-22(18)30-15)24-23(13(2)3)25(31-26(24)27(32)33)20-8-14(28)9-21-17(20)6-7-29-21;1-14(2)10-20-24(18-4-3-5-21-23(18)15(7-9-32)13-30-21)26(27(33)34)31-25(20)19-11-16(28)12-22-17(19)6-8-29-22;1-12(2)22-23(18-10-15(33-4)11-21-17(18)7-13(3)29-21)25(26(31)32)30-24(22)19-8-14(27)9-20-16(19)5-6-28-20;1-4-15-12-18-17(6-5-7-20(18)29-15)23-22(13(2)3)24(30-25(23)26(31)32)19-10-14(27)11-21-16(19)8-9-28-21;1-12(2)21-22(16-5-4-6-19-17(16)9-13(3)29-19)24(25(27)31)30-23(21)18-10-14(26)11-20-15(18)7-8-28-20;1-12(2)21-22(16-5-4-6-19-17(16)9-13(3)28-19)24(25(30)31)29-23(21)18-10-14(26)11-20-15(18)7-8-27-20;1-11(2)18-20(19-14-6-8-27-17(14)4-3-16(19)25)23(24(30)31)29-22(18)15-10-13(26)9-12-5-7-28-21(12)15/h5-7,10-11,13-17,32-34H,8-9,12H2,1-4H3,(H,35,36);6-7,9-14,30-32H,5,8H2,1-4H3,(H,33,34);6-13,29-31H,5H2,1-4H3,(H,32,33);3-6,8,11-14,29-32H,7,9-10H2,1-2H3,(H,33,34);5-12,28-30H,1-4H3,(H,31,32);5-13,28-30H,4H2,1-3H3,(H,31,32);4-12,28-30H,1-3H3,(H2,27,31);4-12,27-29H,1-3H3,(H,30,31);3-11,27-29H,1-2H3,(H,30,31)
InChIKeyANHGCSAGIFKKEV-UHFFFAOYSA-N
XLogP60.79
TPSA806.51 Ų
H-Bond Donors37
H-Bond Acceptors12
Rotatable Bonds49
Heavy Atoms296
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004003.02
LogP ≤ 560.79
H-Bond Donors ≤ 537
H-Bond Acceptors ≤ 1012

Analyze 3-(5-chloro-1H-indol-4-yl)-5-(5-fluoro-1H-indol-7-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(2-ethyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(2-ethyl-6-methoxy-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(3-ethyl-6-methyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[3-(2-hydroxyethyl)-1H-indol-4-yl]-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(6-methoxy-2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[3-(3-methylbutyl)-1H-indol-4-yl]-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxamide;5-(6-fluoro-1H-indol-4-yl)-3-(2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1H-indol-4-yl)-5-(5-fluoro-1H-indol-7-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(2-ethyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(2-ethyl-6-methoxy-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(3-ethyl-6-methyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[3-(2-hydroxyethyl)-1H-indol-4-yl]-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(6-methoxy-2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[3-(3-methylbutyl)-1H-indol-4-yl]-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxamide;5-(6-fluoro-1H-indol-4-yl)-3-(2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 3-(5-chloro-1H-indol-4-yl)-5-(5-fluoro-1H-indol-7-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(2-ethyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(2-ethyl-6-methoxy-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(3-ethyl-6-methyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[3-(2-hydroxyethyl)-1H-indol-4-yl]-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(6-methoxy-2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[3-(3-methylbutyl)-1H-indol-4-yl]-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxamide;5-(6-fluoro-1H-indol-4-yl)-3-(2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid (CID 164950968) is 3-(5-chloro-1H-indol-4-yl)-5-(5-fluoro-1H-indol-7-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(2-ethyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(2-ethyl-6-methoxy-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(3-ethyl-6-methyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[3-(2-hydroxyethyl)-1H-indol-4-yl]-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(6-methoxy-2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[3-(3-methylbutyl)-1H-indol-4-yl]-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxamide;5-(6-fluoro-1H-indol-4-yl)-3-(2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 3-(5-chloro-1H-indol-4-yl)-5-(5-fluoro-1H-indol-7-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(2-ethyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(2-ethyl-6-methoxy-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(3-ethyl-6-methyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[3-(2-hydroxyethyl)-1H-indol-4-yl]-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(6-methoxy-2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[3-(3-methylbutyl)-1H-indol-4-yl]-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxamide;5-(6-fluoro-1H-indol-4-yl)-3-(2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 3-(5-chloro-1H-indol-4-yl)-5-(5-fluoro-1H-indol-7-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(2-ethyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(2-ethyl-6-methoxy-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(3-ethyl-6-methyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[3-(2-hydroxyethyl)-1H-indol-4-yl]-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(6-methoxy-2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[3-(3-methylbutyl)-1H-indol-4-yl]-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxamide;5-(6-fluoro-1H-indol-4-yl)-3-(2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid is CC(C)CCc1c[nH]c2cccc(-c3c(C(=O)O)[nH]c(-c4cc(F)cc5[nH]ccc45)c3CC(C)C)c12.CC(C)Cc1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cccc2[nH]cc(CCO)c12.CC(C)c1c(-c2cc(F)cc3cc[nH]c23)[nH]c(C(=O)O)c1-c1c(Cl)ccc2[nH]ccc12.CCc1c[nH]c2cc(C)cc(-c3c(C(=O)O)[nH]c(-c4cc(F)cc5[nH]ccc45)c3CC(C)C)c12.CCc1cc2c(-c3c(C(=O)O)[nH]c(-c4cc(F)cc5[nH]ccc45)c3C(C)C)cc(OC)cc2[nH]1.CCc1cc2c(-c3c(C(=O)O)[nH]c(-c4cc(F)cc5[nH]ccc45)c3C(C)C)cccc2[nH]1.COc1cc(-c2c(C(=O)O)[nH]c(-c3cc(F)cc4[nH]ccc34)c2C(C)C)c2cc(C)[nH]c2c1.Cc1cc2c(-c3c(C(=O)O)[nH]c(-c4cc(F)cc5[nH]ccc45)c3C(C)C)cccc2[nH]1.Cc1cc2c(-c3c(C(N)=O)[nH]c(-c4cc(F)cc5[nH]ccc45)c3C(C)C)cccc2[nH]1.
What is the InChIKey of 3-(5-chloro-1H-indol-4-yl)-5-(5-fluoro-1H-indol-7-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(2-ethyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(2-ethyl-6-methoxy-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(3-ethyl-6-methyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[3-(2-hydroxyethyl)-1H-indol-4-yl]-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(6-methoxy-2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[3-(3-methylbutyl)-1H-indol-4-yl]-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxamide;5-(6-fluoro-1H-indol-4-yl)-3-(2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid?
The InChIKey is ANHGCSAGIFKKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN3O2.C28H28FN3O2.2C27H26FN3O3.C26H24FN3O3.C26H24FN3O2.C25H23FN4O.C25H22FN3O2.C24H19ClFN3O2/c1-16(2)8-9-18-15-33-24-7-5-6-21(26(18)24)27-23(12-17(3)4)28(34-29(27)30(35)36)22-13-19(31)14-25-20(22)10-11-32-25;1-5-16-13-31-23-10-15(4)9-20(24(16)23)25-21(8-14(2)3)26(32-27(25)28(33)34)19-11-17(29)12-22-18(19)6-7-30-22;1-5-15-10-18-19(11-16(34-4)12-22(18)30-15)24-23(13(2)3)25(31-26(24)27(32)33)20-8-14(28)9-21-17(20)6-7-29-21;1-14(2)10-20-24(18-4-3-5-21-23(18)15(7-9-32)13-30-21)26(27(33)34)31-25(20)19-11-16(28)12-22-17(19)6-8-29-22;1-12(2)22-23(18-10-15(33-4)11-21-17(18)7-13(3)29-21)25(26(31)32)30-24(22)19-8-14(27)9-20-16(19)5-6-28-20;1-4-15-12-18-17(6-5-7-20(18)29-15)23-22(13(2)3)24(30-25(23)26(31)32)19-10-14(27)11-21-16(19)8-9-28-21;1-12(2)21-22(16-5-4-6-19-17(16)9-13(3)29-19)24(25(27)31)30-23(21)18-10-14(26)11-20-15(18)7-8-28-20;1-12(2)21-22(16-5-4-6-19-17(16)9-13(3)28-19)24(25(30)31)29-23(21)18-10-14(26)11-20-15(18)7-8-27-20;1-11(2)18-20(19-14-6-8-27-17(14)4-3-16(19)25)23(24(30)31)29-22(18)15-10-13(26)9-12-5-7-28-21(12)15/h5-7,10-11,13-17,32-34H,8-9,12H2,1-4H3,(H,35,36);6-7,9-14,30-32H,5,8H2,1-4H3,(H,33,34);6-13,29-31H,5H2,1-4H3,(H,32,33);3-6,8,11-14,29-32H,7,9-10H2,1-2H3,(H,33,34);5-12,28-30H,1-4H3,(H,31,32);5-13,28-30H,4H2,1-3H3,(H,31,32);4-12,28-30H,1-3H3,(H2,27,31);4-12,27-29H,1-3H3,(H,30,31);3-11,27-29H,1-2H3,(H,30,31).
What are the key properties of 3-(5-chloro-1H-indol-4-yl)-5-(5-fluoro-1H-indol-7-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(2-ethyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(2-ethyl-6-methoxy-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(3-ethyl-6-methyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[3-(2-hydroxyethyl)-1H-indol-4-yl]-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(6-methoxy-2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[3-(3-methylbutyl)-1H-indol-4-yl]-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxamide;5-(6-fluoro-1H-indol-4-yl)-3-(2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid?
3-(5-chloro-1H-indol-4-yl)-5-(5-fluoro-1H-indol-7-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(2-ethyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(2-ethyl-6-methoxy-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(3-ethyl-6-methyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[3-(2-hydroxyethyl)-1H-indol-4-yl]-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(6-methoxy-2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[3-(3-methylbutyl)-1H-indol-4-yl]-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxamide;5-(6-fluoro-1H-indol-4-yl)-3-(2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid has a molecular weight of 4003.02 g/mol, XLogP of 60.79, 49 rotatable bonds, 37 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1H-indol-4-yl)-5-(5-fluoro-1H-indol-7-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(2-ethyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(2-ethyl-6-methoxy-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(3-ethyl-6-methyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[3-(2-hydroxyethyl)-1H-indol-4-yl]-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(6-methoxy-2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[3-(3-methylbutyl)-1H-indol-4-yl]-4-(2-methylpropyl)-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxamide;5-(6-fluoro-1H-indol-4-yl)-3-(2-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 164950968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).