4-[1-(4-fluorophenyl)-2-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzamide;3-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-1-methylpyrazole-5-carboxylic acid;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyrazol-1-yl]-2-methylpropanoic acid;5-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]thiophene-2-carboxylic acid

C108H103F4N13O11S — CID 158959821

IUPAC4-[1-(4-fluorophenyl)-2-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzamide;3-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-1-methylpyrazole-5-carboxylic acid;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyrazol-1-yl]-2-methylpropanoic acid;5-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]thiophene-2-carboxylic acid
SMILESCC(C)(CO)c1c(-c2ccc(C(N)=O)cc2)c2cc3c(cc2n1-c1ccc(F)cc1)C=NC3.COCC(C)(C)c1c(-c2cc(C(=O)O)n(C)n2)c2cc3c(cc2n1-c1ccc(F)cc1)C=NC3.COCC(C)(C)c1c(-c2ccc(C(=O)O)s2)c2cc3c(cc2n1-c1ccc(F)cc1)C=NC3.COCC(C)(C)c1c(-c2cn(C(C)(C)C(=O)O)nc2C)c2cc3c(cc2n1-c1ccc(F)cc1)C=NC3
InChIInChI=1S/C29H31FN4O3.C27H24FN3O2.C26H25FN4O3.C26H23FN2O3S/c1-17-23(15-33(32-17)29(4,5)27(35)36)25-22-11-18-13-31-14-19(18)12-24(22)34(21-9-7-20(30)8-10-21)26(25)28(2,3)16-37-6;1-27(2,15-32)25-24(16-3-5-17(6-4-16)26(29)33)22-11-18-13-30-14-19(18)12-23(22)31(25)21-9-7-20(28)8-10-21;1-26(2,14-34-4)24-23(20-11-22(25(32)33)30(3)29-20)19-9-15-12-28-13-16(15)10-21(19)31(24)18-7-5-17(27)6-8-18;1-26(2,14-32-3)24-23(21-8-9-22(33-21)25(30)31)19-10-15-12-28-13-16(15)11-20(19)29(24)18-6-4-17(27)5-7-18/h7-12,14-15H,13,16H2,1-6H3,(H,35,36);3-12,14,32H,13,15H2,1-2H3,(H2,29,33);5-11,13H,12,14H2,1-4H3,(H,32,33);4-11,13H,12,14H2,1-3H3,(H,30,31)
InChIKeyJMLZXHVCBJTERG-UHFFFAOYSA-N
MW1867.15 g/mol
LogP21.13
Rot. Bonds24

About 4-[1-(4-fluorophenyl)-2-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzamide;3-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-1-methylpyrazole-5-carboxylic acid;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyrazol-1-yl]-2-methylpropanoic acid;5-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]thiophene-2-carboxylic acid

4-[1-(4-fluorophenyl)-2-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzamide;3-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-1-methylpyrazole-5-carboxylic acid;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyrazol-1-yl]-2-methylpropanoic acid;5-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]thiophene-2-carboxylic acid (PubChem CID 158959821) has the molecular formula C108H103F4N13O11S and a molecular weight of 1867.15 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)-2-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzamide;3-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-1-methylpyrazole-5-carboxylic acid;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyrazol-1-yl]-2-methylpropanoic acid;5-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)-2-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzamide;3-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-1-methylpyrazole-5-carboxylic acid;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyrazol-1-yl]-2-methylpropanoic acid;5-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]thiophene-2-carboxylic acid
PubChem CID158959821
Molecular FormulaC108H103F4N13O11S
Molecular Weight1867.15 g/mol
Exact Mass1865.76
IUPAC Name4-[1-(4-fluorophenyl)-2-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzamide;3-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-1-methylpyrazole-5-carboxylic acid;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyrazol-1-yl]-2-methylpropanoic acid;5-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]thiophene-2-carboxylic acid
SMILESCC(C)(CO)c1c(-c2ccc(C(N)=O)cc2)c2cc3c(cc2n1-c1ccc(F)cc1)C=NC3.COCC(C)(C)c1c(-c2cc(C(=O)O)n(C)n2)c2cc3c(cc2n1-c1ccc(F)cc1)C=NC3.COCC(C)(C)c1c(-c2ccc(C(=O)O)s2)c2cc3c(cc2n1-c1ccc(F)cc1)C=NC3.COCC(C)(C)c1c(-c2cn(C(C)(C)C(=O)O)nc2C)c2cc3c(cc2n1-c1ccc(F)cc1)C=NC3
InChIInChI=1S/C29H31FN4O3.C27H24FN3O2.C26H25FN4O3.C26H23FN2O3S/c1-17-23(15-33(32-17)29(4,5)27(35)36)25-22-11-18-13-31-14-19(18)12-24(22)34(21-9-7-20(30)8-10-21)26(25)28(2,3)16-37-6;1-27(2,15-32)25-24(16-3-5-17(6-4-16)26(29)33)22-11-18-13-30-14-19(18)12-23(22)31(25)21-9-7-20(28)8-10-21;1-26(2,14-34-4)24-23(20-11-22(25(32)33)30(3)29-20)19-9-15-12-28-13-16(15)10-21(19)31(24)18-7-5-17(27)6-8-18;1-26(2,14-32-3)24-23(21-8-9-22(33-21)25(30)31)19-10-15-12-28-13-16(15)11-20(19)29(24)18-6-4-17(27)5-7-18/h7-12,14-15H,13,16H2,1-6H3,(H,35,36);3-12,14,32H,13,15H2,1-2H3,(H2,29,33);5-11,13H,12,14H2,1-4H3,(H,32,33);4-11,13H,12,14H2,1-3H3,(H,30,31)
InChIKeyJMLZXHVCBJTERG-UHFFFAOYSA-N
XLogP21.13
TPSA307.71 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds24
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001867.15
LogP ≤ 521.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze 4-[1-(4-fluorophenyl)-2-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzamide;3-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-1-methylpyrazole-5-carboxylic acid;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyrazol-1-yl]-2-methylpropanoic acid;5-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)-2-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzamide;3-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-1-methylpyrazole-5-carboxylic acid;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyrazol-1-yl]-2-methylpropanoic acid;5-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[1-(4-fluorophenyl)-2-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzamide;3-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-1-methylpyrazole-5-carboxylic acid;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyrazol-1-yl]-2-methylpropanoic acid;5-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]thiophene-2-carboxylic acid (CID 158959821) is 4-[1-(4-fluorophenyl)-2-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzamide;3-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-1-methylpyrazole-5-carboxylic acid;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyrazol-1-yl]-2-methylpropanoic acid;5-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[1-(4-fluorophenyl)-2-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzamide;3-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-1-methylpyrazole-5-carboxylic acid;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyrazol-1-yl]-2-methylpropanoic acid;5-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[1-(4-fluorophenyl)-2-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzamide;3-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-1-methylpyrazole-5-carboxylic acid;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyrazol-1-yl]-2-methylpropanoic acid;5-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]thiophene-2-carboxylic acid is CC(C)(CO)c1c(-c2ccc(C(N)=O)cc2)c2cc3c(cc2n1-c1ccc(F)cc1)C=NC3.COCC(C)(C)c1c(-c2cc(C(=O)O)n(C)n2)c2cc3c(cc2n1-c1ccc(F)cc1)C=NC3.COCC(C)(C)c1c(-c2ccc(C(=O)O)s2)c2cc3c(cc2n1-c1ccc(F)cc1)C=NC3.COCC(C)(C)c1c(-c2cn(C(C)(C)C(=O)O)nc2C)c2cc3c(cc2n1-c1ccc(F)cc1)C=NC3.
What is the InChIKey of 4-[1-(4-fluorophenyl)-2-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzamide;3-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-1-methylpyrazole-5-carboxylic acid;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyrazol-1-yl]-2-methylpropanoic acid;5-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]thiophene-2-carboxylic acid?
The InChIKey is JMLZXHVCBJTERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN4O3.C27H24FN3O2.C26H25FN4O3.C26H23FN2O3S/c1-17-23(15-33(32-17)29(4,5)27(35)36)25-22-11-18-13-31-14-19(18)12-24(22)34(21-9-7-20(30)8-10-21)26(25)28(2,3)16-37-6;1-27(2,15-32)25-24(16-3-5-17(6-4-16)26(29)33)22-11-18-13-30-14-19(18)12-23(22)31(25)21-9-7-20(28)8-10-21;1-26(2,14-34-4)24-23(20-11-22(25(32)33)30(3)29-20)19-9-15-12-28-13-16(15)10-21(19)31(24)18-7-5-17(27)6-8-18;1-26(2,14-32-3)24-23(21-8-9-22(33-21)25(30)31)19-10-15-12-28-13-16(15)11-20(19)29(24)18-6-4-17(27)5-7-18/h7-12,14-15H,13,16H2,1-6H3,(H,35,36);3-12,14,32H,13,15H2,1-2H3,(H2,29,33);5-11,13H,12,14H2,1-4H3,(H,32,33);4-11,13H,12,14H2,1-3H3,(H,30,31).
What are the key properties of 4-[1-(4-fluorophenyl)-2-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzamide;3-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-1-methylpyrazole-5-carboxylic acid;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyrazol-1-yl]-2-methylpropanoic acid;5-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]thiophene-2-carboxylic acid?
4-[1-(4-fluorophenyl)-2-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzamide;3-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-1-methylpyrazole-5-carboxylic acid;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyrazol-1-yl]-2-methylpropanoic acid;5-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]thiophene-2-carboxylic acid has a molecular weight of 1867.15 g/mol, XLogP of 21.13, 24 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)-2-(1-hydroxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]benzamide;3-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-1-methylpyrazole-5-carboxylic acid;2-[4-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]-3-methylpyrazol-1-yl]-2-methylpropanoic acid;5-[1-(4-fluorophenyl)-2-(1-methoxy-2-methylpropan-2-yl)-5H-pyrrolo[3,4-f]indol-3-yl]thiophene-2-carboxylic acid is sourced from PubChem (CID 158959821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).