6-fluoro-3-[4-(2-pyridin-2-ylethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine

C18H14FN5 — CID 146710829

IUPAC6-fluoro-3-[4-(2-pyridin-2-ylethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine
SMILESFc1ccc2ncc(-c3nccc(CCc4ccccn4)n3)n2c1
InChIInChI=1S/C18H14FN5/c19-13-4-7-17-22-11-16(24(17)12-13)18-21-10-8-15(23-18)6-5-14-3-1-2-9-20-14/h1-4,7-12H,5-6H2
InChIKeyRBLDBEYEDMIXLX-UHFFFAOYSA-N
MW319.34 g/mol
LogP3.11
Rot. Bonds4

About 6-fluoro-3-[4-(2-pyridin-2-ylethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine

6-fluoro-3-[4-(2-pyridin-2-ylethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine (PubChem CID 146710829) has the molecular formula C18H14FN5 and a molecular weight of 319.34 g/mol. Its IUPAC name is 6-fluoro-3-[4-(2-pyridin-2-ylethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-fluoro-3-[4-(2-pyridin-2-ylethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine
PubChem CID146710829
Molecular FormulaC18H14FN5
Molecular Weight319.34 g/mol
Exact Mass319.12
IUPAC Name6-fluoro-3-[4-(2-pyridin-2-ylethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine
SMILESFc1ccc2ncc(-c3nccc(CCc4ccccn4)n3)n2c1
InChIInChI=1S/C18H14FN5/c19-13-4-7-17-22-11-16(24(17)12-13)18-21-10-8-15(23-18)6-5-14-3-1-2-9-20-14/h1-4,7-12H,5-6H2
InChIKeyRBLDBEYEDMIXLX-UHFFFAOYSA-N
XLogP3.11
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[4-(2-pyridin-2-ylethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-fluoro-3-[4-(2-pyridin-2-ylethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine (CID 146710829) is 6-fluoro-3-[4-(2-pyridin-2-ylethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-fluoro-3-[4-(2-pyridin-2-ylethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-fluoro-3-[4-(2-pyridin-2-ylethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine is Fc1ccc2ncc(-c3nccc(CCc4ccccn4)n3)n2c1.
What is the InChIKey of 6-fluoro-3-[4-(2-pyridin-2-ylethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine?
The InChIKey is RBLDBEYEDMIXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5/c19-13-4-7-17-22-11-16(24(17)12-13)18-21-10-8-15(23-18)6-5-14-3-1-2-9-20-14/h1-4,7-12H,5-6H2.
What are the key properties of 6-fluoro-3-[4-(2-pyridin-2-ylethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine?
6-fluoro-3-[4-(2-pyridin-2-ylethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine has a molecular weight of 319.34 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[4-(2-pyridin-2-ylethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 146710829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).