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

C17H14F3N3 — CID 117165535

IUPAC3-cyclopropyl-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1ccc(Cc2nc3cccnc3n2C2CC2)cc1
InChIInChI=1S/C17H14F3N3/c18-17(19,20)12-5-3-11(4-6-12)10-15-22-14-2-1-9-21-16(14)23(15)13-7-8-13/h1-6,9,13H,7-8,10H2
InChIKeyHIAVQQCUVVRRNI-UHFFFAOYSA-N
MW317.31 g/mol
LogP4.38
Rot. Bonds3

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

3-cyclopropyl-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine (PubChem CID 117165535) has the molecular formula C17H14F3N3 and a molecular weight of 317.31 g/mol. Its IUPAC name is 3-cyclopropyl-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine
PubChem CID117165535
Molecular FormulaC17H14F3N3
Molecular Weight317.31 g/mol
Exact Mass317.11
IUPAC Name3-cyclopropyl-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1ccc(Cc2nc3cccnc3n2C2CC2)cc1
InChIInChI=1S/C17H14F3N3/c18-17(19,20)12-5-3-11(4-6-12)10-15-22-14-2-1-9-21-16(14)23(15)13-7-8-13/h1-6,9,13H,7-8,10H2
InChIKeyHIAVQQCUVVRRNI-UHFFFAOYSA-N
XLogP4.38
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol
CID 117165404
2-[(4-methylphenyl)methyl]-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117165386
3-cyclobutyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
CID 117165132
2-propyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
CID 42276683
(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methanamine
CID 82474489
2-[3,5-bis(trifluoromethyl)phenyl]-3-cyclopentylimidazo[4,5-b]pyridine
CID 118723086
2-[(4-fluorophenyl)methyl]-3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
CID 42278085
2-(chloromethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine
CID 79294728
4-(2-ethylimidazo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide
CID 117165614
4-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117161703
2-[(4-methylphenyl)methyl]-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine
CID 117165419
2-(3-cycloheptylimidazo[4,5-b]pyridin-2-yl)ethanamine
CID 82483690

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-cyclopropyl-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine (CID 117165535) is 3-cyclopropyl-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-cyclopropyl-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-cyclopropyl-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine is FC(F)(F)c1ccc(Cc2nc3cccnc3n2C2CC2)cc1.
What is the InChIKey of 3-cyclopropyl-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine?
The InChIKey is HIAVQQCUVVRRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3/c18-17(19,20)12-5-3-11(4-6-12)10-15-22-14-2-1-9-21-16(14)23(15)13-7-8-13/h1-6,9,13H,7-8,10H2.
What are the key properties of 3-cyclopropyl-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine?
3-cyclopropyl-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine has a molecular weight of 317.31 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 117165535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).