1H-indol-2-ylmethanol;3-methyl-2-(2,2,2-trifluoroethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole

C23H24F3N3O — CID 170951156

IUPAC1H-indol-2-ylmethanol;3-methyl-2-(2,2,2-trifluoroethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESCC1Cc2c([nH]c3ccccc23)CN1CC(F)(F)F.OCc1cc2ccccc2[nH]1
InChIInChI=1S/C14H15F3N2.C9H9NO/c1-9-6-11-10-4-2-3-5-12(10)18-13(11)7-19(9)8-14(15,16)17;11-6-8-5-7-3-1-2-4-9(7)10-8/h2-5,9,18H,6-8H2,1H3;1-5,10-11H,6H2
InChIKeyRWJTYDMGFXQGGW-UHFFFAOYSA-N
MW415.46 g/mol
LogP5.14
Rot. Bonds2

About 1H-indol-2-ylmethanol;3-methyl-2-(2,2,2-trifluoroethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole

1H-indol-2-ylmethanol;3-methyl-2-(2,2,2-trifluoroethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole (PubChem CID 170951156) has the molecular formula C23H24F3N3O and a molecular weight of 415.46 g/mol. Its IUPAC name is 1H-indol-2-ylmethanol;3-methyl-2-(2,2,2-trifluoroethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name1H-indol-2-ylmethanol;3-methyl-2-(2,2,2-trifluoroethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
PubChem CID170951156
Molecular FormulaC23H24F3N3O
Molecular Weight415.46 g/mol
Exact Mass415.19
IUPAC Name1H-indol-2-ylmethanol;3-methyl-2-(2,2,2-trifluoroethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESCC1Cc2c([nH]c3ccccc23)CN1CC(F)(F)F.OCc1cc2ccccc2[nH]1
InChIInChI=1S/C14H15F3N2.C9H9NO/c1-9-6-11-10-4-2-3-5-12(10)18-13(11)7-19(9)8-14(15,16)17;11-6-8-5-7-3-1-2-4-9(7)10-8/h2-5,9,18H,6-8H2,1H3;1-5,10-11H,6H2
InChIKeyRWJTYDMGFXQGGW-UHFFFAOYSA-N
XLogP5.14
TPSA55.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.46
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1H-indol-2-ylmethanol;3-methyl-2-(2,2,2-trifluoroethyl)-1,3,4,9-tetrahydropyrido[3,4-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

2,2-difluoro-3-(3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-ol;2-[(3-methylazetidin-1-yl)methyl]-1H-indole
CID 170951190
2-[(3-fluoroazetidin-1-yl)methyl]-1H-indole;2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 170951137
2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 130330595
1,1-difluoro-2-(3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanamine
CID 174310707
(3R)-3-methyl-2-(3,3,3-trifluoropropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 121427754
(3R)-6-fluoro-3-methyl-2-(2,2,2-trifluoroethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 154987678
(3S)-2-(2,2-difluoroethyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 170727866
2-(3,5-difluorophenyl)-2,6-diazaspiro[3.3]heptane;ethane;3-methyl-2-(2,2,2-trifluoroethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 164923628
[5-[(1R,3R)-3-methyl-2-(2,2,3,3,3-pentafluoropropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-1H-indol-2-yl]methanol
CID 170951109
(2R)-2-fluoro-3-[(3R)-7-fluoro-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methylpropan-1-ol
CID 166691871
9-(3,5-difluorophenyl)-2,9-diazaspiro[4.6]undecane;3-methyl-2-(2,2,2-trifluoroethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 164924005
(3R)-7-fluoro-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 154987716

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-ylmethanol;3-methyl-2-(2,2,2-trifluoroethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The IUPAC name of 1H-indol-2-ylmethanol;3-methyl-2-(2,2,2-trifluoroethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole (CID 170951156) is 1H-indol-2-ylmethanol;3-methyl-2-(2,2,2-trifluoroethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for 1H-indol-2-ylmethanol;3-methyl-2-(2,2,2-trifluoroethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for 1H-indol-2-ylmethanol;3-methyl-2-(2,2,2-trifluoroethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole is CC1Cc2c([nH]c3ccccc23)CN1CC(F)(F)F.OCc1cc2ccccc2[nH]1.
What is the InChIKey of 1H-indol-2-ylmethanol;3-methyl-2-(2,2,2-trifluoroethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The InChIKey is RWJTYDMGFXQGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2.C9H9NO/c1-9-6-11-10-4-2-3-5-12(10)18-13(11)7-19(9)8-14(15,16)17;11-6-8-5-7-3-1-2-4-9(7)10-8/h2-5,9,18H,6-8H2,1H3;1-5,10-11H,6H2.
What are the key properties of 1H-indol-2-ylmethanol;3-methyl-2-(2,2,2-trifluoroethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole?
1H-indol-2-ylmethanol;3-methyl-2-(2,2,2-trifluoroethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole has a molecular weight of 415.46 g/mol, XLogP of 5.14, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-ylmethanol;3-methyl-2-(2,2,2-trifluoroethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 170951156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).