4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methoxymethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methylaminomethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;2-[7-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-1,3-benzothiazol-2-yl]ethanesulfinate;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methylsulfanylmethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;6-fluoro-4-[5-methyl-3-propan-2-yl-4-[2-[2-(sulfinatoamino)ethyl]-1H-inden-4-yl]-1H-pyrrol-2-yl]-1H-indole

C247H234F9N23O17S5-2 — CID 165025796

IUPAC4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methoxymethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methylaminomethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;2-[7-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-1,3-benzothiazol-2-yl]ethanesulfinate;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methylsulfanylmethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;6-fluoro-4-[5-methyl-3-propan-2-yl-4-[2-[2-(sulfinatoamino)ethyl]-1H-inden-4-yl]-1H-pyrrol-2-yl]-1H-indole
SMILESCC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cc(OC2COC2)cc2c1C=CC2.CNCc1ccc2c(c1-c1c(C(=O)O)[nH]c(-c3cc(F)cc4[nH]ccc34)c1C(C)C)C=CC2.COCc1ccc2c(c1-c1c(C(=O)O)[nH]c(-c3cc(F)cc4[nH]ccc34)c1C(C)C)C=CC2.CSCc1ccc2c(c1-c1c(C(=O)O)[nH]c(-c3cc(F)cc4[nH]ccc34)c1C(C)C)C=CC2.Cc1[nH]c(-c2cc(F)cc3[nH]ccc23)c(C(C)C)c1-c1cc(OC2CCC2)cc2c1C=CC2.Cc1[nH]c(-c2cc(F)cc3[nH]ccc23)c(C(C)C)c1-c1cc(OC2CCCC2)cc2c1C=CC2.Cc1[nH]c(-c2cc(F)cc3[nH]ccc23)c(C(C)C)c1-c1cccc2c1C=C(CCNS(=O)[O-])C2.Cc1[nH]c(-c2cc(F)cc3[nH]ccc23)c(C(C)C)c1-c1cccc2nc(CCS(=O)[O-])sc12.Cc1[nH]c(-c2cc(F)cc3[nH]ccc23)c(C(C)C)c1-c1ccnc2c1C=C(c1nccs1)C2
InChIInChI=1S/C30H31FN2O.C29H29FN2O.C28H25FN2O4.C27H23FN4S.C27H28FN3O2S.C27H26FN3O2.C27H25FN2O3.C27H25FN2O2S.C25H24FN3O2S2/c1-17(2)28-29(18(3)33-30(28)26-14-20(31)15-27-24(26)11-12-32-27)25-16-22(34-21-8-4-5-9-21)13-19-7-6-10-23(19)25;1-16(2)27-28(17(3)32-29(27)25-13-19(30)14-26-23(25)10-11-31-26)24-15-21(33-20-7-5-8-20)12-18-6-4-9-22(18)24;1-14(2)24-25(21-11-17(35-18-12-34-13-18)8-15-4-3-5-19(15)21)27(28(32)33)31-26(24)22-9-16(29)10-23-20(22)6-7-30-23;1-14(2)24-25(15(3)32-26(24)21-12-17(28)13-23-18(21)4-6-30-23)19-5-7-29-22-11-16(10-20(19)22)27-31-8-9-33-27;1-15(2)25-26(16(3)31-27(25)23-13-19(28)14-24-20(23)8-9-29-24)21-6-4-5-18-11-17(12-22(18)21)7-10-30-34(32)33;1-14(2)22-24(23-16(13-29-3)8-7-15-5-4-6-18(15)23)26(27(32)33)31-25(22)20-11-17(28)12-21-19(20)9-10-30-21;2*1-14(2)22-24(23-16(13-33-3)8-7-15-5-4-6-18(15)23)26(27(31)32)30-25(22)20-11-17(28)12-21-19(20)9-10-29-21;1-13(2)22-23(17-5-4-6-19-25(17)32-21(29-19)8-10-33(30)31)14(3)28-24(22)18-11-15(26)12-20-16(18)7-9-27-20/h6,10-17,21,32-33H,4-5,7-9H2,1-3H3;4,9-16,20,31-32H,5-8H2,1-3H3;3,5-11,14,18,30-31H,4,12-13H2,1-2H3,(H,32,33);4-10,12-14,30,32H,11H2,1-3H3;4-6,8-9,12-15,29-31H,7,10-11H2,1-3H3,(H,32,33);4,6-12,14,29-31H,5,13H2,1-3H3,(H,32,33);2*4,6-12,14,29-30H,5,13H2,1-3H3,(H,31,32);4-7,9,11-13,27-28H,8,10H2,1-3H3,(H,30,31)/p-2
InChIKeyTUXTXNIQMKNVBC-UHFFFAOYSA-L
MW4128.05 g/mol
LogP62.04
Rot. Bonds51

About 4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methoxymethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methylaminomethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;2-[7-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-1,3-benzothiazol-2-yl]ethanesulfinate;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methylsulfanylmethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;6-fluoro-4-[5-methyl-3-propan-2-yl-4-[2-[2-(sulfinatoamino)ethyl]-1H-inden-4-yl]-1H-pyrrol-2-yl]-1H-indole

4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methoxymethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methylaminomethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;2-[7-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-1,3-benzothiazol-2-yl]ethanesulfinate;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methylsulfanylmethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;6-fluoro-4-[5-methyl-3-propan-2-yl-4-[2-[2-(sulfinatoamino)ethyl]-1H-inden-4-yl]-1H-pyrrol-2-yl]-1H-indole (PubChem CID 165025796) has the molecular formula C247H234F9N23O17S5-2 and a molecular weight of 4128.05 g/mol. Its IUPAC name is 4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methoxymethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methylaminomethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;2-[7-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-1,3-benzothiazol-2-yl]ethanesulfinate;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methylsulfanylmethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;6-fluoro-4-[5-methyl-3-propan-2-yl-4-[2-[2-(sulfinatoamino)ethyl]-1H-inden-4-yl]-1H-pyrrol-2-yl]-1H-indole.

Molecular Properties

Compound Name4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methoxymethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methylaminomethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;2-[7-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-1,3-benzothiazol-2-yl]ethanesulfinate;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methylsulfanylmethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;6-fluoro-4-[5-methyl-3-propan-2-yl-4-[2-[2-(sulfinatoamino)ethyl]-1H-inden-4-yl]-1H-pyrrol-2-yl]-1H-indole
PubChem CID165025796
Molecular FormulaC247H234F9N23O17S5-2
Molecular Weight4128.05 g/mol
Exact Mass4124.66
IUPAC Name4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methoxymethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methylaminomethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;2-[7-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-1,3-benzothiazol-2-yl]ethanesulfinate;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methylsulfanylmethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;6-fluoro-4-[5-methyl-3-propan-2-yl-4-[2-[2-(sulfinatoamino)ethyl]-1H-inden-4-yl]-1H-pyrrol-2-yl]-1H-indole
SMILESCC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cc(OC2COC2)cc2c1C=CC2.CNCc1ccc2c(c1-c1c(C(=O)O)[nH]c(-c3cc(F)cc4[nH]ccc34)c1C(C)C)C=CC2.COCc1ccc2c(c1-c1c(C(=O)O)[nH]c(-c3cc(F)cc4[nH]ccc34)c1C(C)C)C=CC2.CSCc1ccc2c(c1-c1c(C(=O)O)[nH]c(-c3cc(F)cc4[nH]ccc34)c1C(C)C)C=CC2.Cc1[nH]c(-c2cc(F)cc3[nH]ccc23)c(C(C)C)c1-c1cc(OC2CCC2)cc2c1C=CC2.Cc1[nH]c(-c2cc(F)cc3[nH]ccc23)c(C(C)C)c1-c1cc(OC2CCCC2)cc2c1C=CC2.Cc1[nH]c(-c2cc(F)cc3[nH]ccc23)c(C(C)C)c1-c1cccc2c1C=C(CCNS(=O)[O-])C2.Cc1[nH]c(-c2cc(F)cc3[nH]ccc23)c(C(C)C)c1-c1cccc2nc(CCS(=O)[O-])sc12.Cc1[nH]c(-c2cc(F)cc3[nH]ccc23)c(C(C)C)c1-c1ccnc2c1C=C(c1nccs1)C2
InChIInChI=1S/C30H31FN2O.C29H29FN2O.C28H25FN2O4.C27H23FN4S.C27H28FN3O2S.C27H26FN3O2.C27H25FN2O3.C27H25FN2O2S.C25H24FN3O2S2/c1-17(2)28-29(18(3)33-30(28)26-14-20(31)15-27-24(26)11-12-32-27)25-16-22(34-21-8-4-5-9-21)13-19-7-6-10-23(19)25;1-16(2)27-28(17(3)32-29(27)25-13-19(30)14-26-23(25)10-11-31-26)24-15-21(33-20-7-5-8-20)12-18-6-4-9-22(18)24;1-14(2)24-25(21-11-17(35-18-12-34-13-18)8-15-4-3-5-19(15)21)27(28(32)33)31-26(24)22-9-16(29)10-23-20(22)6-7-30-23;1-14(2)24-25(15(3)32-26(24)21-12-17(28)13-23-18(21)4-6-30-23)19-5-7-29-22-11-16(10-20(19)22)27-31-8-9-33-27;1-15(2)25-26(16(3)31-27(25)23-13-19(28)14-24-20(23)8-9-29-24)21-6-4-5-18-11-17(12-22(18)21)7-10-30-34(32)33;1-14(2)22-24(23-16(13-29-3)8-7-15-5-4-6-18(15)23)26(27(32)33)31-25(22)20-11-17(28)12-21-19(20)9-10-30-21;2*1-14(2)22-24(23-16(13-33-3)8-7-15-5-4-6-18(15)23)26(27(31)32)30-25(22)20-11-17(28)12-21-19(20)9-10-29-21;1-13(2)22-23(17-5-4-6-19-25(17)32-21(29-19)8-10-33(30)31)14(3)28-24(22)18-11-15(26)12-20-16(18)7-9-27-20/h6,10-17,21,32-33H,4-5,7-9H2,1-3H3;4,9-16,20,31-32H,5-8H2,1-3H3;3,5-11,14,18,30-31H,4,12-13H2,1-2H3,(H,32,33);4-10,12-14,30,32H,11H2,1-3H3;4-6,8-9,12-15,29-31H,7,10-11H2,1-3H3,(H,32,33);4,6-12,14,29-31H,5,13H2,1-3H3,(H,32,33);2*4,6-12,14,29-30H,5,13H2,1-3H3,(H,31,32);4-7,9,11-13,27-28H,8,10H2,1-3H3,(H,30,31)/p-2
InChIKeyTUXTXNIQMKNVBC-UHFFFAOYSA-L
XLogP62.04
TPSA622.56 Ų
H-Bond Donors24
H-Bond Acceptors20
Rotatable Bonds51
Heavy Atoms301
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004128.05
LogP ≤ 562.04
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1020

Analyze 4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methoxymethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methylaminomethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;2-[7-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-1,3-benzothiazol-2-yl]ethanesulfinate;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methylsulfanylmethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;6-fluoro-4-[5-methyl-3-propan-2-yl-4-[2-[2-(sulfinatoamino)ethyl]-1H-inden-4-yl]-1H-pyrrol-2-yl]-1H-indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methoxymethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methylaminomethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;2-[7-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-1,3-benzothiazol-2-yl]ethanesulfinate;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methylsulfanylmethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;6-fluoro-4-[5-methyl-3-propan-2-yl-4-[2-[2-(sulfinatoamino)ethyl]-1H-inden-4-yl]-1H-pyrrol-2-yl]-1H-indole?
The IUPAC name of 4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methoxymethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methylaminomethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;2-[7-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-1,3-benzothiazol-2-yl]ethanesulfinate;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methylsulfanylmethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;6-fluoro-4-[5-methyl-3-propan-2-yl-4-[2-[2-(sulfinatoamino)ethyl]-1H-inden-4-yl]-1H-pyrrol-2-yl]-1H-indole (CID 165025796) is 4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methoxymethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methylaminomethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;2-[7-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-1,3-benzothiazol-2-yl]ethanesulfinate;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methylsulfanylmethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;6-fluoro-4-[5-methyl-3-propan-2-yl-4-[2-[2-(sulfinatoamino)ethyl]-1H-inden-4-yl]-1H-pyrrol-2-yl]-1H-indole.
What is the SMILES notation for 4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methoxymethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methylaminomethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;2-[7-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-1,3-benzothiazol-2-yl]ethanesulfinate;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methylsulfanylmethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;6-fluoro-4-[5-methyl-3-propan-2-yl-4-[2-[2-(sulfinatoamino)ethyl]-1H-inden-4-yl]-1H-pyrrol-2-yl]-1H-indole?
The canonical SMILES for 4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methoxymethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methylaminomethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;2-[7-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-1,3-benzothiazol-2-yl]ethanesulfinate;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methylsulfanylmethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;6-fluoro-4-[5-methyl-3-propan-2-yl-4-[2-[2-(sulfinatoamino)ethyl]-1H-inden-4-yl]-1H-pyrrol-2-yl]-1H-indole is CC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cc(OC2COC2)cc2c1C=CC2.CNCc1ccc2c(c1-c1c(C(=O)O)[nH]c(-c3cc(F)cc4[nH]ccc34)c1C(C)C)C=CC2.COCc1ccc2c(c1-c1c(C(=O)O)[nH]c(-c3cc(F)cc4[nH]ccc34)c1C(C)C)C=CC2.CSCc1ccc2c(c1-c1c(C(=O)O)[nH]c(-c3cc(F)cc4[nH]ccc34)c1C(C)C)C=CC2.Cc1[nH]c(-c2cc(F)cc3[nH]ccc23)c(C(C)C)c1-c1cc(OC2CCC2)cc2c1C=CC2.Cc1[nH]c(-c2cc(F)cc3[nH]ccc23)c(C(C)C)c1-c1cc(OC2CCCC2)cc2c1C=CC2.Cc1[nH]c(-c2cc(F)cc3[nH]ccc23)c(C(C)C)c1-c1cccc2c1C=C(CCNS(=O)[O-])C2.Cc1[nH]c(-c2cc(F)cc3[nH]ccc23)c(C(C)C)c1-c1cccc2nc(CCS(=O)[O-])sc12.Cc1[nH]c(-c2cc(F)cc3[nH]ccc23)c(C(C)C)c1-c1ccnc2c1C=C(c1nccs1)C2.
What is the InChIKey of 4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methoxymethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methylaminomethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;2-[7-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-1,3-benzothiazol-2-yl]ethanesulfinate;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methylsulfanylmethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;6-fluoro-4-[5-methyl-3-propan-2-yl-4-[2-[2-(sulfinatoamino)ethyl]-1H-inden-4-yl]-1H-pyrrol-2-yl]-1H-indole?
The InChIKey is TUXTXNIQMKNVBC-UHFFFAOYSA-L. The full InChI is InChI=1S/C30H31FN2O.C29H29FN2O.C28H25FN2O4.C27H23FN4S.C27H28FN3O2S.C27H26FN3O2.C27H25FN2O3.C27H25FN2O2S.C25H24FN3O2S2/c1-17(2)28-29(18(3)33-30(28)26-14-20(31)15-27-24(26)11-12-32-27)25-16-22(34-21-8-4-5-9-21)13-19-7-6-10-23(19)25;1-16(2)27-28(17(3)32-29(27)25-13-19(30)14-26-23(25)10-11-31-26)24-15-21(33-20-7-5-8-20)12-18-6-4-9-22(18)24;1-14(2)24-25(21-11-17(35-18-12-34-13-18)8-15-4-3-5-19(15)21)27(28(32)33)31-26(24)22-9-16(29)10-23-20(22)6-7-30-23;1-14(2)24-25(15(3)32-26(24)21-12-17(28)13-23-18(21)4-6-30-23)19-5-7-29-22-11-16(10-20(19)22)27-31-8-9-33-27;1-15(2)25-26(16(3)31-27(25)23-13-19(28)14-24-20(23)8-9-29-24)21-6-4-5-18-11-17(12-22(18)21)7-10-30-34(32)33;1-14(2)22-24(23-16(13-29-3)8-7-15-5-4-6-18(15)23)26(27(32)33)31-25(22)20-11-17(28)12-21-19(20)9-10-30-21;2*1-14(2)22-24(23-16(13-33-3)8-7-15-5-4-6-18(15)23)26(27(31)32)30-25(22)20-11-17(28)12-21-19(20)9-10-29-21;1-13(2)22-23(17-5-4-6-19-25(17)32-21(29-19)8-10-33(30)31)14(3)28-24(22)18-11-15(26)12-20-16(18)7-9-27-20/h6,10-17,21,32-33H,4-5,7-9H2,1-3H3;4,9-16,20,31-32H,5-8H2,1-3H3;3,5-11,14,18,30-31H,4,12-13H2,1-2H3,(H,32,33);4-10,12-14,30,32H,11H2,1-3H3;4-6,8-9,12-15,29-31H,7,10-11H2,1-3H3,(H,32,33);4,6-12,14,29-31H,5,13H2,1-3H3,(H,32,33);2*4,6-12,14,29-30H,5,13H2,1-3H3,(H,31,32);4-7,9,11-13,27-28H,8,10H2,1-3H3,(H,30,31)/p-2.
What are the key properties of 4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methoxymethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methylaminomethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;2-[7-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-1,3-benzothiazol-2-yl]ethanesulfinate;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methylsulfanylmethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;6-fluoro-4-[5-methyl-3-propan-2-yl-4-[2-[2-(sulfinatoamino)ethyl]-1H-inden-4-yl]-1H-pyrrol-2-yl]-1H-indole?
4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methoxymethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methylaminomethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;2-[7-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-1,3-benzothiazol-2-yl]ethanesulfinate;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methylsulfanylmethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;6-fluoro-4-[5-methyl-3-propan-2-yl-4-[2-[2-(sulfinatoamino)ethyl]-1H-inden-4-yl]-1H-pyrrol-2-yl]-1H-indole has a molecular weight of 4128.05 g/mol, XLogP of 62.04, 51 rotatable bonds, 24 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methoxymethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methylaminomethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;2-[7-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-1,3-benzothiazol-2-yl]ethanesulfinate;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[5-(methylsulfanylmethyl)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;6-fluoro-4-[5-methyl-3-propan-2-yl-4-[2-[2-(sulfinatoamino)ethyl]-1H-inden-4-yl]-1H-pyrrol-2-yl]-1H-indole is sourced from PubChem (CID 165025796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).