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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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).