(3R)-3-methyl-2-(3,3,3-trifluoropropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole

C15H17F3N2 — CID 121427754

IUPAC(3R)-3-methyl-2-(3,3,3-trifluoropropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESC[C@@H]1Cc2c([nH]c3ccccc23)CN1CCC(F)(F)F
InChIInChI=1S/C15H17F3N2/c1-10-8-12-11-4-2-3-5-13(11)19-14(12)9-20(10)7-6-15(16,17)18/h2-5,10,19H,6-9H2,1H3/t10-/m1/s1
InChIKeyPEAZCRGICRCMJL-SNVBAGLBSA-N
MW282.31 g/mol
LogP3.87
Rot. Bonds2

About (3R)-3-methyl-2-(3,3,3-trifluoropropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole

(3R)-3-methyl-2-(3,3,3-trifluoropropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole (PubChem CID 121427754) has the molecular formula C15H17F3N2 and a molecular weight of 282.31 g/mol. Its IUPAC name is (3R)-3-methyl-2-(3,3,3-trifluoropropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name(3R)-3-methyl-2-(3,3,3-trifluoropropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
PubChem CID121427754
Molecular FormulaC15H17F3N2
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name(3R)-3-methyl-2-(3,3,3-trifluoropropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESC[C@@H]1Cc2c([nH]c3ccccc23)CN1CCC(F)(F)F
InChIInChI=1S/C15H17F3N2/c1-10-8-12-11-4-2-3-5-13(11)19-14(12)9-20(10)7-6-15(16,17)18/h2-5,10,19H,6-9H2,1H3/t10-/m1/s1
InChIKeyPEAZCRGICRCMJL-SNVBAGLBSA-N
XLogP3.87
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3R)-3-methyl-2-(3,3,3-trifluoropropyl)-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

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-2-(3,3,3-trifluoropropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The IUPAC name of (3R)-3-methyl-2-(3,3,3-trifluoropropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole (CID 121427754) is (3R)-3-methyl-2-(3,3,3-trifluoropropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for (3R)-3-methyl-2-(3,3,3-trifluoropropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for (3R)-3-methyl-2-(3,3,3-trifluoropropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole is C[C@@H]1Cc2c([nH]c3ccccc23)CN1CCC(F)(F)F.
What is the InChIKey of (3R)-3-methyl-2-(3,3,3-trifluoropropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole?
The InChIKey is PEAZCRGICRCMJL-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17F3N2/c1-10-8-12-11-4-2-3-5-13(11)19-14(12)9-20(10)7-6-15(16,17)18/h2-5,10,19H,6-9H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-3-methyl-2-(3,3,3-trifluoropropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole?
(3R)-3-methyl-2-(3,3,3-trifluoropropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole has a molecular weight of 282.31 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-2-(3,3,3-trifluoropropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 121427754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).