5-(difluoromethyl)-7-(5-fluoro-3-pyridinyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole

C18H16F3N3 — CID 155584433

IUPAC5-(difluoromethyl)-7-(5-fluoro-3-pyridinyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCN1CCc2c(c3ccc(-c4cncc(F)c4)cc3n2C(F)F)C1
InChIInChI=1S/C18H16F3N3/c1-23-5-4-16-15(10-23)14-3-2-11(7-17(14)24(16)18(20)21)12-6-13(19)9-22-8-12/h2-3,6-9,18H,4-5,10H2,1H3
InChIKeyIOYSJDJDPMBZIL-UHFFFAOYSA-N
MW331.34 g/mol
LogP4.23
Rot. Bonds2

About 5-(difluoromethyl)-7-(5-fluoro-3-pyridinyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole

5-(difluoromethyl)-7-(5-fluoro-3-pyridinyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 155584433) has the molecular formula C18H16F3N3 and a molecular weight of 331.34 g/mol. Its IUPAC name is 5-(difluoromethyl)-7-(5-fluoro-3-pyridinyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-(difluoromethyl)-7-(5-fluoro-3-pyridinyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID155584433
Molecular FormulaC18H16F3N3
Molecular Weight331.34 g/mol
Exact Mass331.13
IUPAC Name5-(difluoromethyl)-7-(5-fluoro-3-pyridinyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCN1CCc2c(c3ccc(-c4cncc(F)c4)cc3n2C(F)F)C1
InChIInChI=1S/C18H16F3N3/c1-23-5-4-16-15(10-23)14-3-2-11(7-17(14)24(16)18(20)21)12-6-13(19)9-22-8-12/h2-3,6-9,18H,4-5,10H2,1H3
InChIKeyIOYSJDJDPMBZIL-UHFFFAOYSA-N
XLogP4.23
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(difluoromethyl)-7-(5-fluoro-3-pyridinyl)-2-methyl-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

7-(6-tert-butyl-5-fluoro-3-pyridinyl)-5-(difluoromethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 165371337
7-(5-fluoro-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole
CID 155583559
8-fluoro-2-methyl-5-pyridin-3-yl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 44612929
8-fluoro-2-methyl-5-pyridin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole;dihydrochloride
CID 44613059
8-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-2,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 67206409
2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 674261
2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-(4-fluorophenyl)ethanol
CID 71007585
2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylpropan-1-ol
CID 71007544
2-(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol
CID 71275252
1-(2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one;methane
CID 161383241
5-(difluoromethyl)-7-[5-(trifluoromethyl)-3-pyridinyl]pyrido[4,3-b]indole
CID 155584256
8-fluoro-2-methyl-7-pyrimidin-5-yl-3,4-dihydro-1H-isoquinoline
CID 91551286

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-7-(5-fluoro-3-pyridinyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 5-(difluoromethyl)-7-(5-fluoro-3-pyridinyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 155584433) is 5-(difluoromethyl)-7-(5-fluoro-3-pyridinyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 5-(difluoromethyl)-7-(5-fluoro-3-pyridinyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 5-(difluoromethyl)-7-(5-fluoro-3-pyridinyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole is CN1CCc2c(c3ccc(-c4cncc(F)c4)cc3n2C(F)F)C1.
What is the InChIKey of 5-(difluoromethyl)-7-(5-fluoro-3-pyridinyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is IOYSJDJDPMBZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3/c1-23-5-4-16-15(10-23)14-3-2-11(7-17(14)24(16)18(20)21)12-6-13(19)9-22-8-12/h2-3,6-9,18H,4-5,10H2,1H3.
What are the key properties of 5-(difluoromethyl)-7-(5-fluoro-3-pyridinyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
5-(difluoromethyl)-7-(5-fluoro-3-pyridinyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 331.34 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-7-(5-fluoro-3-pyridinyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 155584433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).