3,5-dimethyl-2-propyl-7-(trifluoromethyl)-6,7-dihydroimidazo[4,5-b]pyridine

C12H16F3N3 — CID 147238827

IUPAC3,5-dimethyl-2-propyl-7-(trifluoromethyl)-6,7-dihydroimidazo[4,5-b]pyridine
SMILESCCCc1nc2c(n1C)N=C(C)CC2C(F)(F)F
InChIInChI=1S/C12H16F3N3/c1-4-5-9-17-10-8(12(13,14)15)6-7(2)16-11(10)18(9)3/h8H,4-6H2,1-3H3
InChIKeyCKJBVXKPSZWFTG-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.51
Rot. Bonds2

About 3,5-dimethyl-2-propyl-7-(trifluoromethyl)-6,7-dihydroimidazo[4,5-b]pyridine

3,5-dimethyl-2-propyl-7-(trifluoromethyl)-6,7-dihydroimidazo[4,5-b]pyridine (PubChem CID 147238827) has the molecular formula C12H16F3N3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 3,5-dimethyl-2-propyl-7-(trifluoromethyl)-6,7-dihydroimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3,5-dimethyl-2-propyl-7-(trifluoromethyl)-6,7-dihydroimidazo[4,5-b]pyridine
PubChem CID147238827
Molecular FormulaC12H16F3N3
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC Name3,5-dimethyl-2-propyl-7-(trifluoromethyl)-6,7-dihydroimidazo[4,5-b]pyridine
SMILESCCCc1nc2c(n1C)N=C(C)CC2C(F)(F)F
InChIInChI=1S/C12H16F3N3/c1-4-5-9-17-10-8(12(13,14)15)6-7(2)16-11(10)18(9)3/h8H,4-6H2,1-3H3
InChIKeyCKJBVXKPSZWFTG-UHFFFAOYSA-N
XLogP3.51
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,5-dimethyl-2-propyl-7-(trifluoromethyl)-6,7-dihydroimidazo[4,5-b]pyridine 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 3,5-dimethyl-2-propyl-7-(trifluoromethyl)-6,7-dihydroimidazo[4,5-b]pyridine?
The IUPAC name of 3,5-dimethyl-2-propyl-7-(trifluoromethyl)-6,7-dihydroimidazo[4,5-b]pyridine (CID 147238827) is 3,5-dimethyl-2-propyl-7-(trifluoromethyl)-6,7-dihydroimidazo[4,5-b]pyridine.
What is the SMILES notation for 3,5-dimethyl-2-propyl-7-(trifluoromethyl)-6,7-dihydroimidazo[4,5-b]pyridine?
The canonical SMILES for 3,5-dimethyl-2-propyl-7-(trifluoromethyl)-6,7-dihydroimidazo[4,5-b]pyridine is CCCc1nc2c(n1C)N=C(C)CC2C(F)(F)F.
What is the InChIKey of 3,5-dimethyl-2-propyl-7-(trifluoromethyl)-6,7-dihydroimidazo[4,5-b]pyridine?
The InChIKey is CKJBVXKPSZWFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3/c1-4-5-9-17-10-8(12(13,14)15)6-7(2)16-11(10)18(9)3/h8H,4-6H2,1-3H3.
What are the key properties of 3,5-dimethyl-2-propyl-7-(trifluoromethyl)-6,7-dihydroimidazo[4,5-b]pyridine?
3,5-dimethyl-2-propyl-7-(trifluoromethyl)-6,7-dihydroimidazo[4,5-b]pyridine has a molecular weight of 259.27 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-propyl-7-(trifluoromethyl)-6,7-dihydroimidazo[4,5-b]pyridine is sourced from PubChem (CID 147238827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).