6-fluoro-5-[2-(4-methoxyphenyl)ethyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole

C22H25FN2O — CID 142759079

IUPAC6-fluoro-5-[2-(4-methoxyphenyl)ethyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCOc1ccc(CCn2c3c(c4cccc(F)c42)C(C)N(C)CC3)cc1
InChIInChI=1S/C22H25FN2O/c1-15-21-18-5-4-6-19(23)22(18)25(20(21)12-13-24(15)2)14-11-16-7-9-17(26-3)10-8-16/h4-10,15H,11-14H2,1-3H3
InChIKeyWIBOWDISHIYOHY-UHFFFAOYSA-N
MW352.45 g/mol
LogP4.58
Rot. Bonds4

About 6-fluoro-5-[2-(4-methoxyphenyl)ethyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole

6-fluoro-5-[2-(4-methoxyphenyl)ethyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 142759079) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is 6-fluoro-5-[2-(4-methoxyphenyl)ethyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name6-fluoro-5-[2-(4-methoxyphenyl)ethyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID142759079
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name6-fluoro-5-[2-(4-methoxyphenyl)ethyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCOc1ccc(CCn2c3c(c4cccc(F)c42)C(C)N(C)CC3)cc1
InChIInChI=1S/C22H25FN2O/c1-15-21-18-5-4-6-19(23)22(18)25(20(21)12-13-24(15)2)14-11-16-7-9-17(26-3)10-8-16/h4-10,15H,11-14H2,1-3H3
InChIKeyWIBOWDISHIYOHY-UHFFFAOYSA-N
XLogP4.58
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 6-fluoro-5-[2-(4-methoxyphenyl)ethyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole with MolForge

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Related Compounds

6-fluoro-1,2-dimethyl-5-[2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759603
6-fluoro-2,3-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 51029651
1,2-dimethyl-5-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759448
8-fluoro-1,2-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 51029828
8-fluoro-5-[2-(3-fluorophenyl)ethyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759165
8-fluoro-5-[2-(4-methoxyphenyl)ethyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 46225027
8-ethyl-1,2-dimethyl-5-[2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142758891
9-[2-(4-methoxyphenyl)ethyl]-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
CID 142759287
5-fluoro-2-[3-(4-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinoline
CID 110456774
ethane;(1R)-5-[2-(4-fluorophenyl)ethyl]-1,2,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;(3R)-5-[2-(4-fluorophenyl)ethyl]-2,3,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 143798800
6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-5-[(1R)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidine-2,4-dione
CID 29146308
1-[2-(4-methoxyphenyl)ethyl]azetidin-3-ol
CID 63282641

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-[2-(4-methoxyphenyl)ethyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 6-fluoro-5-[2-(4-methoxyphenyl)ethyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 142759079) is 6-fluoro-5-[2-(4-methoxyphenyl)ethyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 6-fluoro-5-[2-(4-methoxyphenyl)ethyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 6-fluoro-5-[2-(4-methoxyphenyl)ethyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is COc1ccc(CCn2c3c(c4cccc(F)c42)C(C)N(C)CC3)cc1.
What is the InChIKey of 6-fluoro-5-[2-(4-methoxyphenyl)ethyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is WIBOWDISHIYOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O/c1-15-21-18-5-4-6-19(23)22(18)25(20(21)12-13-24(15)2)14-11-16-7-9-17(26-3)10-8-16/h4-10,15H,11-14H2,1-3H3.
What are the key properties of 6-fluoro-5-[2-(4-methoxyphenyl)ethyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
6-fluoro-5-[2-(4-methoxyphenyl)ethyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 352.45 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-[2-(4-methoxyphenyl)ethyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 142759079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).