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

C22H21FN2O — CID 159548765

IUPAC1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole
SMILESCc1cc(-n2c(C3CCOCC3)cc3cc4c(cc32)C=NC4)ccc1F
InChIInChI=1S/C22H21FN2O/c1-14-8-19(2-3-20(14)23)25-21(15-4-6-26-7-5-15)10-16-9-17-12-24-13-18(17)11-22(16)25/h2-3,8-11,13,15H,4-7,12H2,1H3
InChIKeyZWVVBXQVTCMNNU-UHFFFAOYSA-N
MW348.42 g/mol
LogP4.90
Rot. Bonds2

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

1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole (PubChem CID 159548765) has the molecular formula C22H21FN2O and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole
PubChem CID159548765
Molecular FormulaC22H21FN2O
Molecular Weight348.42 g/mol
Exact Mass348.16
IUPAC Name1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole
SMILESCc1cc(-n2c(C3CCOCC3)cc3cc4c(cc32)C=NC4)ccc1F
InChIInChI=1S/C22H21FN2O/c1-14-8-19(2-3-20(14)23)25-21(15-4-6-26-7-5-15)10-16-9-17-12-24-13-18(17)11-22(16)25/h2-3,8-11,13,15H,4-7,12H2,1H3
InChIKeyZWVVBXQVTCMNNU-UHFFFAOYSA-N
XLogP4.90
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

potassium;2,2-dimethylpropanoyl chloride;1-[5-(4-fluorophenyl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-1-yl]-2,2-dimethylpropan-1-one;1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole;2-methylpropan-2-olate;oxolane
CID 160762453
6-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)indol-4-ol
CID 156879129
5-(3,4-difluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole
CID 146522737
5-fluoro-1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)-4-phenylmethoxyindole
CID 156878900
1-(4-fluorophenyl)-2-(oxan-4-yl)-3-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[3,4-f]indole
CID 158446265
5-(3-fluorophenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazole
CID 155369365
5-fluoro-1-(4-fluoro-3-methylphenyl)-3-iodo-2-(oxan-4-yl)-4-phenylmethoxyindole
CID 166558922
1-[4-[1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indol-3-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 159291834
(2S)-2-fluoro-3-[10-(4-fluoro-3-methylphenyl)-11-(oxan-4-yl)-2,4,5,10-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaen-12-yl]propanoic acid
CID 168754741
(3R)-3-fluoro-3-[10-(4-fluoro-3-methylphenyl)-11-(oxan-4-yl)-2,4,5,10-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaen-12-yl]propanoic acid
CID 168754921
(3S)-3-fluoro-3-[10-(4-fluoro-3-methylphenyl)-11-(oxan-4-yl)-2,4,5,10-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaen-12-yl]propanoic acid
CID 168754698
4-[5-(4-fluoro-3-methylphenyl)-6-(oxan-4-yl)-1H-pyrrolo[2,3-f]indazol-7-yl]cyclohexane-1-carboxylic acid
CID 146521986

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole (CID 159548765) is 1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole is Cc1cc(-n2c(C3CCOCC3)cc3cc4c(cc32)C=NC4)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole?
The InChIKey is ZWVVBXQVTCMNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O/c1-14-8-19(2-3-20(14)23)25-21(15-4-6-26-7-5-15)10-16-9-17-12-24-13-18(17)11-22(16)25/h2-3,8-11,13,15H,4-7,12H2,1H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole?
1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole has a molecular weight of 348.42 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole is sourced from PubChem (CID 159548765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).