2-methyl-5-(2-pyridin-4-ylethenyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

C20H18F3N3 — CID 91037261

IUPAC2-methyl-5-(2-pyridin-4-ylethenyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCN1CCc2c(c3cc(C(F)(F)F)ccc3n2C=Cc2ccncc2)C1
InChIInChI=1S/C20H18F3N3/c1-25-10-7-19-17(13-25)16-12-15(20(21,22)23)2-3-18(16)26(19)11-6-14-4-8-24-9-5-14/h2-6,8-9,11-12H,7,10,13H2,1H3
InChIKeyGMXZYNLETNCSRQ-UHFFFAOYSA-N
MW357.38 g/mol
LogP4.67
Rot. Bonds2

About 2-methyl-5-(2-pyridin-4-ylethenyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

2-methyl-5-(2-pyridin-4-ylethenyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 91037261) has the molecular formula C20H18F3N3 and a molecular weight of 357.38 g/mol. Its IUPAC name is 2-methyl-5-(2-pyridin-4-ylethenyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name2-methyl-5-(2-pyridin-4-ylethenyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID91037261
Molecular FormulaC20H18F3N3
Molecular Weight357.38 g/mol
Exact Mass357.15
IUPAC Name2-methyl-5-(2-pyridin-4-ylethenyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCN1CCc2c(c3cc(C(F)(F)F)ccc3n2C=Cc2ccncc2)C1
InChIInChI=1S/C20H18F3N3/c1-25-10-7-19-17(13-25)16-12-15(20(21,22)23)2-3-18(16)26(19)11-6-14-4-8-24-9-5-14/h2-6,8-9,11-12H,7,10,13H2,1H3
InChIKeyGMXZYNLETNCSRQ-UHFFFAOYSA-N
XLogP4.67
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-5-(2-pyridin-4-ylethenyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole with MolForge

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

Launch Full Analysis

Related Compounds

2,8-dimethyl-5-[(E)-2-pyridin-4-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 140550816
2,8-dimethyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(Z)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(Z)-2-pyridin-3-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-pyridin-4-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 162244226
2-methyl-5-(2-pyridin-3-ylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 143825782
8-fluoro-2-methyl-5-[(E)-2-pyridin-2-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 140550812
2-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 59455181
2,8-dimethyl-5-[(Z)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 46199734
N-cyclopropyl-2-methyl-5-[(E)-2-pyridin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-8-amine
CID 59455148
2-[2-[2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-4-pyridinyl]ethanol
CID 123708976
2,8-dimethyl-5-[(E)-2-pyridin-4-ylbut-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 59455070
2-(8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol
CID 123794847
8-fluoro-2-methyl-5-pyridin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole;dihydrochloride
CID 44613059
2,8-dimethyl-5-[(E)-2-naphthalen-1-ylethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 118011586

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-pyridin-4-ylethenyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 2-methyl-5-(2-pyridin-4-ylethenyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 91037261) is 2-methyl-5-(2-pyridin-4-ylethenyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 2-methyl-5-(2-pyridin-4-ylethenyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 2-methyl-5-(2-pyridin-4-ylethenyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is CN1CCc2c(c3cc(C(F)(F)F)ccc3n2C=Cc2ccncc2)C1.
What is the InChIKey of 2-methyl-5-(2-pyridin-4-ylethenyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is GMXZYNLETNCSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3/c1-25-10-7-19-17(13-25)16-12-15(20(21,22)23)2-3-18(16)26(19)11-6-14-4-8-24-9-5-14/h2-6,8-9,11-12H,7,10,13H2,1H3.
What are the key properties of 2-methyl-5-(2-pyridin-4-ylethenyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
2-methyl-5-(2-pyridin-4-ylethenyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 357.38 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-pyridin-4-ylethenyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 91037261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).