2-[3,5-bis(trifluoromethyl)phenyl]-3-cyclopentylimidazo[4,5-b]pyridine

C19H15F6N3 — CID 118723086

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-3-cyclopentylimidazo[4,5-b]pyridine
SMILESFC(F)(F)c1cc(-c2nc3cccnc3n2C2CCCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H15F6N3/c20-18(21,22)12-8-11(9-13(10-12)19(23,24)25)16-27-15-6-3-7-26-17(15)28(16)14-4-1-2-5-14/h3,6-10,14H,1-2,4-5H2
InChIKeyOAMOJAXBXJZAAO-UHFFFAOYSA-N
MW399.34 g/mol
LogP6.25
Rot. Bonds2

About 2-[3,5-bis(trifluoromethyl)phenyl]-3-cyclopentylimidazo[4,5-b]pyridine

2-[3,5-bis(trifluoromethyl)phenyl]-3-cyclopentylimidazo[4,5-b]pyridine (PubChem CID 118723086) has the molecular formula C19H15F6N3 and a molecular weight of 399.34 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-3-cyclopentylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-3-cyclopentylimidazo[4,5-b]pyridine
PubChem CID118723086
Molecular FormulaC19H15F6N3
Molecular Weight399.34 g/mol
Exact Mass399.12
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-3-cyclopentylimidazo[4,5-b]pyridine
SMILESFC(F)(F)c1cc(-c2nc3cccnc3n2C2CCCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H15F6N3/c20-18(21,22)12-8-11(9-13(10-12)19(23,24)25)16-27-15-6-3-7-26-17(15)28(16)14-4-1-2-5-14/h3,6-10,14H,1-2,4-5H2
InChIKeyOAMOJAXBXJZAAO-UHFFFAOYSA-N
XLogP6.25
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.34
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3,5-bis(trifluoromethyl)phenyl]-3-cyclopentylimidazo[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

Related Compounds

3-cyclopentyl-2-(2,3-dihydro-1-benzofuran-6-yl)imidazo[4,5-b]pyridine
CID 118723490
2-chloro-3-cyclopentylimidazo[4,5-b]pyridine
CID 102139378
4-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-N-methylaniline
CID 104698547
3-cyclopropyl-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine
CID 117165535
3-cyclobutylimidazo[4,5-b]pyridin-2-amine
CID 79289020
2-(3-methylphenyl)-3-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117166577
(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methanamine
CID 82474489
2-(3-chlorophenyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117166658
2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-3-fluorophenol
CID 136789732
2-(3-fluorophenyl)-3-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117166582
2-(3-fluorophenyl)-3-(thian-2-yl)imidazo[4,5-b]pyridine
CID 117166710
2-(3-cycloheptylimidazo[4,5-b]pyridin-2-yl)ethanamine
CID 82483690

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-3-cyclopentylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-3-cyclopentylimidazo[4,5-b]pyridine (CID 118723086) is 2-[3,5-bis(trifluoromethyl)phenyl]-3-cyclopentylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-3-cyclopentylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-3-cyclopentylimidazo[4,5-b]pyridine is FC(F)(F)c1cc(-c2nc3cccnc3n2C2CCCC2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-3-cyclopentylimidazo[4,5-b]pyridine?
The InChIKey is OAMOJAXBXJZAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F6N3/c20-18(21,22)12-8-11(9-13(10-12)19(23,24)25)16-27-15-6-3-7-26-17(15)28(16)14-4-1-2-5-14/h3,6-10,14H,1-2,4-5H2.
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-3-cyclopentylimidazo[4,5-b]pyridine?
2-[3,5-bis(trifluoromethyl)phenyl]-3-cyclopentylimidazo[4,5-b]pyridine has a molecular weight of 399.34 g/mol, XLogP of 6.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-3-cyclopentylimidazo[4,5-b]pyridine is sourced from PubChem (CID 118723086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).