1-(4-fluorophenyl)-2-(oxan-4-yl)-3-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[3,4-f]indole

C30H29FN2O4 — CID 158446265

IUPAC1-(4-fluorophenyl)-2-(oxan-4-yl)-3-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[3,4-f]indole
SMILESCOc1cc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4c(cc23)CN=C4)cc(OC)c1OC
InChIInChI=1S/C30H29FN2O4/c1-34-26-14-19(15-27(35-2)30(26)36-3)28-24-12-20-16-32-17-21(20)13-25(24)33(23-6-4-22(31)5-7-23)29(28)18-8-10-37-11-9-18/h4-7,12-15,17-18H,8-11,16H2,1-3H3
InChIKeyKGGSEQZACRRKGS-UHFFFAOYSA-N
MW500.57 g/mol
LogP6.29
Rot. Bonds6

About 1-(4-fluorophenyl)-2-(oxan-4-yl)-3-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[3,4-f]indole

1-(4-fluorophenyl)-2-(oxan-4-yl)-3-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[3,4-f]indole (PubChem CID 158446265) has the molecular formula C30H29FN2O4 and a molecular weight of 500.57 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(oxan-4-yl)-3-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[3,4-f]indole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(oxan-4-yl)-3-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[3,4-f]indole
PubChem CID158446265
Molecular FormulaC30H29FN2O4
Molecular Weight500.57 g/mol
Exact Mass500.21
IUPAC Name1-(4-fluorophenyl)-2-(oxan-4-yl)-3-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[3,4-f]indole
SMILESCOc1cc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4c(cc23)CN=C4)cc(OC)c1OC
InChIInChI=1S/C30H29FN2O4/c1-34-26-14-19(15-27(35-2)30(26)36-3)28-24-12-20-16-32-17-21(20)13-25(24)33(23-6-4-22(31)5-7-23)29(28)18-8-10-37-11-9-18/h4-7,12-15,17-18H,8-11,16H2,1-3H3
InChIKeyKGGSEQZACRRKGS-UHFFFAOYSA-N
XLogP6.29
TPSA54.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.57
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-fluorophenyl)-2-(oxan-4-yl)-3-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[3,4-f]indole 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 1-(4-fluorophenyl)-2-(oxan-4-yl)-3-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[3,4-f]indole?
The IUPAC name of 1-(4-fluorophenyl)-2-(oxan-4-yl)-3-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[3,4-f]indole (CID 158446265) is 1-(4-fluorophenyl)-2-(oxan-4-yl)-3-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[3,4-f]indole.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(oxan-4-yl)-3-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[3,4-f]indole?
The canonical SMILES for 1-(4-fluorophenyl)-2-(oxan-4-yl)-3-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[3,4-f]indole is COc1cc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cc4c(cc23)CN=C4)cc(OC)c1OC.
What is the InChIKey of 1-(4-fluorophenyl)-2-(oxan-4-yl)-3-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[3,4-f]indole?
The InChIKey is KGGSEQZACRRKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN2O4/c1-34-26-14-19(15-27(35-2)30(26)36-3)28-24-12-20-16-32-17-21(20)13-25(24)33(23-6-4-22(31)5-7-23)29(28)18-8-10-37-11-9-18/h4-7,12-15,17-18H,8-11,16H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-2-(oxan-4-yl)-3-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[3,4-f]indole?
1-(4-fluorophenyl)-2-(oxan-4-yl)-3-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[3,4-f]indole has a molecular weight of 500.57 g/mol, XLogP of 6.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(oxan-4-yl)-3-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[3,4-f]indole is sourced from PubChem (CID 158446265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).