2-propyl-3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine

C16H14F3N3 — CID 117165971

IUPAC2-propyl-3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine
SMILESCCCc1nc2cccnc2n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3N3/c1-2-5-14-21-13-8-4-9-20-15(13)22(14)12-7-3-6-11(10-12)16(17,18)19/h3-4,6-10H,2,5H2,1H3
InChIKeyVAGGPTNSUZWHFK-UHFFFAOYSA-N
MW305.30 g/mol
LogP4.39
Rot. Bonds3

About 2-propyl-3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine

2-propyl-3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine (PubChem CID 117165971) has the molecular formula C16H14F3N3 and a molecular weight of 305.30 g/mol. Its IUPAC name is 2-propyl-3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-propyl-3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine
PubChem CID117165971
Molecular FormulaC16H14F3N3
Molecular Weight305.30 g/mol
Exact Mass305.11
IUPAC Name2-propyl-3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine
SMILESCCCc1nc2cccnc2n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3N3/c1-2-5-14-21-13-8-4-9-20-15(13)22(14)12-7-3-6-11(10-12)16(17,18)19/h3-4,6-10H,2,5H2,1H3
InChIKeyVAGGPTNSUZWHFK-UHFFFAOYSA-N
XLogP4.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-propyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine
CID 117165879
2-[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]ethanol
CID 117159986
2-propyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
CID 42276683
3-[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol
CID 117159732
2-(2-chloroethyl)-3-(4-propylphenyl)imidazo[4,5-b]pyridine
CID 79273871
1,3-bis[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one
CID 11362239
2-[3-(3,4-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]ethanamine
CID 82487047
1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine
CID 151593977
3-(3-chlorophenyl)-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117165988
N-[(1S)-1-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine
CID 70922773
3-(3-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 117161382
3-(3-bromo-4-fluorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 104780032

Frequently Asked Questions

What is the IUPAC name of 2-propyl-3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-propyl-3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine (CID 117165971) is 2-propyl-3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-propyl-3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-propyl-3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine is CCCc1nc2cccnc2n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-propyl-3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine?
The InChIKey is VAGGPTNSUZWHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3/c1-2-5-14-21-13-8-4-9-20-15(13)22(14)12-7-3-6-11(10-12)16(17,18)19/h3-4,6-10H,2,5H2,1H3.
What are the key properties of 2-propyl-3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine?
2-propyl-3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine has a molecular weight of 305.30 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 117165971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).