2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine

C19H14FN5 — CID 22380244

IUPAC2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine
SMILESC#CCn1c(Cn2ccnc2-c2cccc(F)c2)nc2cccnc21
InChIInChI=1S/C19H14FN5/c1-2-10-25-17(23-16-7-4-8-21-19(16)25)13-24-11-9-22-18(24)14-5-3-6-15(20)12-14/h1,3-9,11-12H,10,13H2
InChIKeyOZIQUMFLKIOAMB-UHFFFAOYSA-N
MW331.35 g/mol
LogP3.12
Rot. Bonds4

About 2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine

2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine (PubChem CID 22380244) has the molecular formula C19H14FN5 and a molecular weight of 331.35 g/mol. Its IUPAC name is 2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine
PubChem CID22380244
Molecular FormulaC19H14FN5
Molecular Weight331.35 g/mol
Exact Mass331.12
IUPAC Name2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine
SMILESC#CCn1c(Cn2ccnc2-c2cccc(F)c2)nc2cccnc21
InChIInChI=1S/C19H14FN5/c1-2-10-25-17(23-16-7-4-8-21-19(16)25)13-24-11-9-22-18(24)14-5-3-6-15(20)12-14/h1,3-9,11-12H,10,13H2
InChIKeyOZIQUMFLKIOAMB-UHFFFAOYSA-N
XLogP3.12
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine (CID 22380244) is 2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine is C#CCn1c(Cn2ccnc2-c2cccc(F)c2)nc2cccnc21.
What is the InChIKey of 2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine?
The InChIKey is OZIQUMFLKIOAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5/c1-2-10-25-17(23-16-7-4-8-21-19(16)25)13-24-11-9-22-18(24)14-5-3-6-15(20)12-14/h1,3-9,11-12H,10,13H2.
What are the key properties of 2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine?
2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine has a molecular weight of 331.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-3-prop-2-ynylimidazo[4,5-b]pyridine is sourced from PubChem (CID 22380244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).