1-(4-fluoro-3-methylphenyl)-3-methylsulfonyl-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;3-[7-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[3,2-f]indazol-5-yl]propanoic acid;3-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoic acid;3-[4-(4-fluorophenyl)-5-propan-2-yl-2,4,11-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-6-yl]propanoic acid

C85H82F4N10O8S — CID 159503150

IUPAC1-(4-fluoro-3-methylphenyl)-3-methylsulfonyl-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;3-[7-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[3,2-f]indazol-5-yl]propanoic acid;3-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoic acid;3-[4-(4-fluorophenyl)-5-propan-2-yl-2,4,11-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-6-yl]propanoic acid
SMILESCC(C)c1c(CCC(=O)O)c2cc3c(cc2n1-c1ccc(F)cc1)C=NC3.CC(C)c1c(CCC(=O)O)c2cc3c(nc2n1-c1ccc(F)cc1)C=NC3.CC(C)c1c(CCC(=O)O)c2cc3cn[nH]c3cc2n1-c1ccc(F)cc1.Cc1cc(-n2c(C(C)C)c(S(C)(=O)=O)c3cc4c(cc32)C=NC4)ccc1F
InChIInChI=1S/C22H21FN2O2.2C21H20FN3O2.C21H21FN2O2S/c1-13(2)22-18(7-8-21(26)27)19-9-14-11-24-12-15(14)10-20(19)25(22)17-5-3-16(23)4-6-17;1-12(2)21-16(7-8-20(26)27)17-9-13-11-23-24-18(13)10-19(17)25(21)15-5-3-14(22)4-6-15;1-12(2)20-16(7-8-19(26)27)17-9-13-10-23-11-18(13)24-21(17)25(20)15-5-3-14(22)4-6-15;1-12(2)20-21(27(4,25)26)17-8-14-10-23-11-15(14)9-19(17)24(20)16-5-6-18(22)13(3)7-16/h3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,26,27);3-6,9-12H,7-8H2,1-2H3,(H,23,24)(H,26,27);3-6,9,11-12H,7-8,10H2,1-2H3,(H,26,27);5-9,11-12H,10H2,1-4H3
InChIKeyLZQKZOXRBPBJRT-UHFFFAOYSA-N
MW1479.71 g/mol
LogP18.40
Rot. Bonds18

About 1-(4-fluoro-3-methylphenyl)-3-methylsulfonyl-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;3-[7-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[3,2-f]indazol-5-yl]propanoic acid;3-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoic acid;3-[4-(4-fluorophenyl)-5-propan-2-yl-2,4,11-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-6-yl]propanoic acid

1-(4-fluoro-3-methylphenyl)-3-methylsulfonyl-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;3-[7-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[3,2-f]indazol-5-yl]propanoic acid;3-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoic acid;3-[4-(4-fluorophenyl)-5-propan-2-yl-2,4,11-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-6-yl]propanoic acid (PubChem CID 159503150) has the molecular formula C85H82F4N10O8S and a molecular weight of 1479.71 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-3-methylsulfonyl-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;3-[7-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[3,2-f]indazol-5-yl]propanoic acid;3-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoic acid;3-[4-(4-fluorophenyl)-5-propan-2-yl-2,4,11-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-6-yl]propanoic acid.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-3-methylsulfonyl-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;3-[7-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[3,2-f]indazol-5-yl]propanoic acid;3-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoic acid;3-[4-(4-fluorophenyl)-5-propan-2-yl-2,4,11-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-6-yl]propanoic acid
PubChem CID159503150
Molecular FormulaC85H82F4N10O8S
Molecular Weight1479.71 g/mol
Exact Mass1478.60
IUPAC Name1-(4-fluoro-3-methylphenyl)-3-methylsulfonyl-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;3-[7-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[3,2-f]indazol-5-yl]propanoic acid;3-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoic acid;3-[4-(4-fluorophenyl)-5-propan-2-yl-2,4,11-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-6-yl]propanoic acid
SMILESCC(C)c1c(CCC(=O)O)c2cc3c(cc2n1-c1ccc(F)cc1)C=NC3.CC(C)c1c(CCC(=O)O)c2cc3c(nc2n1-c1ccc(F)cc1)C=NC3.CC(C)c1c(CCC(=O)O)c2cc3cn[nH]c3cc2n1-c1ccc(F)cc1.Cc1cc(-n2c(C(C)C)c(S(C)(=O)=O)c3cc4c(cc32)C=NC4)ccc1F
InChIInChI=1S/C22H21FN2O2.2C21H20FN3O2.C21H21FN2O2S/c1-13(2)22-18(7-8-21(26)27)19-9-14-11-24-12-15(14)10-20(19)25(22)17-5-3-16(23)4-6-17;1-12(2)21-16(7-8-20(26)27)17-9-13-11-23-24-18(13)10-19(17)25(21)15-5-3-14(22)4-6-15;1-12(2)20-16(7-8-19(26)27)17-9-13-10-23-11-18(13)24-21(17)25(20)15-5-3-14(22)4-6-15;1-12(2)20-21(27(4,25)26)17-8-14-10-23-11-15(14)9-19(17)24(20)16-5-6-18(22)13(3)7-16/h3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,26,27);3-6,9-12H,7-8H2,1-2H3,(H,23,24)(H,26,27);3-6,9,11-12H,7-8,10H2,1-2H3,(H,26,27);5-9,11-12H,10H2,1-4H3
InChIKeyLZQKZOXRBPBJRT-UHFFFAOYSA-N
XLogP18.40
TPSA244.41 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001479.71
LogP ≤ 518.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 1-(4-fluoro-3-methylphenyl)-3-methylsulfonyl-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;3-[7-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[3,2-f]indazol-5-yl]propanoic acid;3-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoic acid;3-[4-(4-fluorophenyl)-5-propan-2-yl-2,4,11-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-6-yl]propanoic acid with MolForge

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Related Compounds

7-ethenyl-5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;5-(4-fluoro-3-methylphenyl)-7-methylsulfonyl-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole-7-carbonitrile;2-[5-(4-fluoro-3-methylphenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]cyclopropane-1-carboxylic acid
CID 158920809
5-(4-fluoro-3-methylphenyl)-7-methylsulfonyl-6-propan-2-yl-2H-pyrrolo[2,3-f]benzotriazole;3-[7-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[3,2-f]indazol-5-yl]propanoic acid;3-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[2,3-f]indol-3-yl]propanoic acid;3-[4-(4-fluorophenyl)-5-propan-2-yl-2,4,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaen-6-yl]propanoic acid
CID 159265048
5-(4-fluorophenyl)-7-methylsulfonyl-6-propan-2-yl-1H-pyrrolo[2,3-f]indazole;1-[[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]methyl]cyclopropane-1-carboxylic acid;3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]propanoic acid;(E)-3-[5-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[2,3-f]indazol-7-yl]prop-2-enoic acid
CID 161056061
1-Methyl-4-[[5-methyl-10-[6-(1-methylpyrrol-3-yl)-3-pyridinyl]-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]methyl]cyclohexane-1-carboxylic acid;1-methyl-4-[[5-methyl-10-(6-phenyl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]methyl]cyclohexane-1-carboxylic acid;1-methyl-3-[5-methyl-10-(6-pyridin-3-yl-3-pyridinyl)-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl]cyclohexane-1-carboxylic acid;4-(5-methyl-10-quinolin-3-yl-1,3,4,8,12-pentazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-7-yl)thiane 1,1-dioxide
CID 161485358

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-methylsulfonyl-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;3-[7-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[3,2-f]indazol-5-yl]propanoic acid;3-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoic acid;3-[4-(4-fluorophenyl)-5-propan-2-yl-2,4,11-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-6-yl]propanoic acid?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-methylsulfonyl-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;3-[7-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[3,2-f]indazol-5-yl]propanoic acid;3-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoic acid;3-[4-(4-fluorophenyl)-5-propan-2-yl-2,4,11-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-6-yl]propanoic acid (CID 159503150) is 1-(4-fluoro-3-methylphenyl)-3-methylsulfonyl-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;3-[7-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[3,2-f]indazol-5-yl]propanoic acid;3-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoic acid;3-[4-(4-fluorophenyl)-5-propan-2-yl-2,4,11-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-6-yl]propanoic acid.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-3-methylsulfonyl-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;3-[7-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[3,2-f]indazol-5-yl]propanoic acid;3-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoic acid;3-[4-(4-fluorophenyl)-5-propan-2-yl-2,4,11-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-6-yl]propanoic acid?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-3-methylsulfonyl-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;3-[7-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[3,2-f]indazol-5-yl]propanoic acid;3-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoic acid;3-[4-(4-fluorophenyl)-5-propan-2-yl-2,4,11-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-6-yl]propanoic acid is CC(C)c1c(CCC(=O)O)c2cc3c(cc2n1-c1ccc(F)cc1)C=NC3.CC(C)c1c(CCC(=O)O)c2cc3c(nc2n1-c1ccc(F)cc1)C=NC3.CC(C)c1c(CCC(=O)O)c2cc3cn[nH]c3cc2n1-c1ccc(F)cc1.Cc1cc(-n2c(C(C)C)c(S(C)(=O)=O)c3cc4c(cc32)C=NC4)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-3-methylsulfonyl-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;3-[7-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[3,2-f]indazol-5-yl]propanoic acid;3-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoic acid;3-[4-(4-fluorophenyl)-5-propan-2-yl-2,4,11-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-6-yl]propanoic acid?
The InChIKey is LZQKZOXRBPBJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2.2C21H20FN3O2.C21H21FN2O2S/c1-13(2)22-18(7-8-21(26)27)19-9-14-11-24-12-15(14)10-20(19)25(22)17-5-3-16(23)4-6-17;1-12(2)21-16(7-8-20(26)27)17-9-13-11-23-24-18(13)10-19(17)25(21)15-5-3-14(22)4-6-15;1-12(2)20-16(7-8-19(26)27)17-9-13-10-23-11-18(13)24-21(17)25(20)15-5-3-14(22)4-6-15;1-12(2)20-21(27(4,25)26)17-8-14-10-23-11-15(14)9-19(17)24(20)16-5-6-18(22)13(3)7-16/h3-6,9-10,12-13H,7-8,11H2,1-2H3,(H,26,27);3-6,9-12H,7-8H2,1-2H3,(H,23,24)(H,26,27);3-6,9,11-12H,7-8,10H2,1-2H3,(H,26,27);5-9,11-12H,10H2,1-4H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-3-methylsulfonyl-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;3-[7-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[3,2-f]indazol-5-yl]propanoic acid;3-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoic acid;3-[4-(4-fluorophenyl)-5-propan-2-yl-2,4,11-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-6-yl]propanoic acid?
1-(4-fluoro-3-methylphenyl)-3-methylsulfonyl-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;3-[7-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[3,2-f]indazol-5-yl]propanoic acid;3-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoic acid;3-[4-(4-fluorophenyl)-5-propan-2-yl-2,4,11-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-6-yl]propanoic acid has a molecular weight of 1479.71 g/mol, XLogP of 18.40, 18 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-3-methylsulfonyl-2-propan-2-yl-5H-pyrrolo[3,4-f]indole;3-[7-(4-fluorophenyl)-6-propan-2-yl-1H-pyrrolo[3,2-f]indazol-5-yl]propanoic acid;3-[1-(4-fluorophenyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indol-3-yl]propanoic acid;3-[4-(4-fluorophenyl)-5-propan-2-yl-2,4,11-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaen-6-yl]propanoic acid is sourced from PubChem (CID 159503150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).