3-[3-(pyrimidin-2-ylmethyl)phenyl]imidazo[1,2-a]pyridine

C18H14N4 — CID 157186738

IUPAC3-[3-(pyrimidin-2-ylmethyl)phenyl]imidazo[1,2-a]pyridine
SMILESc1cnc(Cc2cccc(-c3cnc4ccccn34)c2)nc1
InChIInChI=1S/C18H14N4/c1-2-10-22-16(13-21-18(22)7-1)15-6-3-5-14(11-15)12-17-19-8-4-9-20-17/h1-11,13H,12H2
InChIKeyAPFCSHSHVPZBOD-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.38
Rot. Bonds3

About 3-[3-(pyrimidin-2-ylmethyl)phenyl]imidazo[1,2-a]pyridine

3-[3-(pyrimidin-2-ylmethyl)phenyl]imidazo[1,2-a]pyridine (PubChem CID 157186738) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-[3-(pyrimidin-2-ylmethyl)phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[3-(pyrimidin-2-ylmethyl)phenyl]imidazo[1,2-a]pyridine
PubChem CID157186738
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name3-[3-(pyrimidin-2-ylmethyl)phenyl]imidazo[1,2-a]pyridine
SMILESc1cnc(Cc2cccc(-c3cnc4ccccn34)c2)nc1
InChIInChI=1S/C18H14N4/c1-2-10-22-16(13-21-18(22)7-1)15-6-3-5-14(11-15)12-17-19-8-4-9-20-17/h1-11,13H,12H2
InChIKeyAPFCSHSHVPZBOD-UHFFFAOYSA-N
XLogP3.38
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(pyrimidin-2-ylmethyl)phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 3-[3-(pyrimidin-2-ylmethyl)phenyl]imidazo[1,2-a]pyridine (CID 157186738) is 3-[3-(pyrimidin-2-ylmethyl)phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[3-(pyrimidin-2-ylmethyl)phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[3-(pyrimidin-2-ylmethyl)phenyl]imidazo[1,2-a]pyridine is c1cnc(Cc2cccc(-c3cnc4ccccn34)c2)nc1.
What is the InChIKey of 3-[3-(pyrimidin-2-ylmethyl)phenyl]imidazo[1,2-a]pyridine?
The InChIKey is APFCSHSHVPZBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-2-10-22-16(13-21-18(22)7-1)15-6-3-5-14(11-15)12-17-19-8-4-9-20-17/h1-11,13H,12H2.
What are the key properties of 3-[3-(pyrimidin-2-ylmethyl)phenyl]imidazo[1,2-a]pyridine?
3-[3-(pyrimidin-2-ylmethyl)phenyl]imidazo[1,2-a]pyridine has a molecular weight of 286.34 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(pyrimidin-2-ylmethyl)phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 157186738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).