1-(4-fluorophenyl)-2-(7-pyridin-4-yl-5H-imidazo[1,2-a]pyrimidin-1-yl)ethanol

C19H17FN4O — CID 70013246

IUPAC1-(4-fluorophenyl)-2-(7-pyridin-4-yl-5H-imidazo[1,2-a]pyrimidin-1-yl)ethanol
SMILESOC(CN1C=CN2CC=C(c3ccncc3)N=C21)c1ccc(F)cc1
InChIInChI=1S/C19H17FN4O/c20-16-3-1-15(2-4-16)18(25)13-24-12-11-23-10-7-17(22-19(23)24)14-5-8-21-9-6-14/h1-9,11-12,18,25H,10,13H2
InChIKeyZXNVUNLPKGBFBM-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.75
Rot. Bonds4

About 1-(4-fluorophenyl)-2-(7-pyridin-4-yl-5H-imidazo[1,2-a]pyrimidin-1-yl)ethanol

1-(4-fluorophenyl)-2-(7-pyridin-4-yl-5H-imidazo[1,2-a]pyrimidin-1-yl)ethanol (PubChem CID 70013246) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(7-pyridin-4-yl-5H-imidazo[1,2-a]pyrimidin-1-yl)ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(7-pyridin-4-yl-5H-imidazo[1,2-a]pyrimidin-1-yl)ethanol
PubChem CID70013246
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name1-(4-fluorophenyl)-2-(7-pyridin-4-yl-5H-imidazo[1,2-a]pyrimidin-1-yl)ethanol
SMILESOC(CN1C=CN2CC=C(c3ccncc3)N=C21)c1ccc(F)cc1
InChIInChI=1S/C19H17FN4O/c20-16-3-1-15(2-4-16)18(25)13-24-12-11-23-10-7-17(22-19(23)24)14-5-8-21-9-6-14/h1-9,11-12,18,25H,10,13H2
InChIKeyZXNVUNLPKGBFBM-UHFFFAOYSA-N
XLogP2.75
TPSA51.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(7-pyridin-4-yl-5H-imidazo[1,2-a]pyrimidin-1-yl)ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-(7-pyridin-4-yl-5H-imidazo[1,2-a]pyrimidin-1-yl)ethanol (CID 70013246) is 1-(4-fluorophenyl)-2-(7-pyridin-4-yl-5H-imidazo[1,2-a]pyrimidin-1-yl)ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(7-pyridin-4-yl-5H-imidazo[1,2-a]pyrimidin-1-yl)ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-(7-pyridin-4-yl-5H-imidazo[1,2-a]pyrimidin-1-yl)ethanol is OC(CN1C=CN2CC=C(c3ccncc3)N=C21)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(7-pyridin-4-yl-5H-imidazo[1,2-a]pyrimidin-1-yl)ethanol?
The InChIKey is ZXNVUNLPKGBFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c20-16-3-1-15(2-4-16)18(25)13-24-12-11-23-10-7-17(22-19(23)24)14-5-8-21-9-6-14/h1-9,11-12,18,25H,10,13H2.
What are the key properties of 1-(4-fluorophenyl)-2-(7-pyridin-4-yl-5H-imidazo[1,2-a]pyrimidin-1-yl)ethanol?
1-(4-fluorophenyl)-2-(7-pyridin-4-yl-5H-imidazo[1,2-a]pyrimidin-1-yl)ethanol has a molecular weight of 336.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(7-pyridin-4-yl-5H-imidazo[1,2-a]pyrimidin-1-yl)ethanol is sourced from PubChem (CID 70013246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).