8-(4-fluorophenyl)-6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]imidazo[1,2-c]pyrimidin-5-one

C18H16FN5O2 — CID 155923239

IUPAC8-(4-fluorophenyl)-6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]imidazo[1,2-c]pyrimidin-5-one
SMILESCn1nccc1OCc1cn2c(=O)n(C)cc(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C18H16FN5O2/c1-22-10-15(12-3-5-13(19)6-4-12)17-21-14(9-24(17)18(22)25)11-26-16-7-8-20-23(16)2/h3-10H,11H2,1-2H3
InChIKeyKOUZCJXJVXTBNK-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.15
Rot. Bonds4

About 8-(4-fluorophenyl)-6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]imidazo[1,2-c]pyrimidin-5-one

8-(4-fluorophenyl)-6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]imidazo[1,2-c]pyrimidin-5-one (PubChem CID 155923239) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name8-(4-fluorophenyl)-6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]imidazo[1,2-c]pyrimidin-5-one
PubChem CID155923239
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC Name8-(4-fluorophenyl)-6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]imidazo[1,2-c]pyrimidin-5-one
SMILESCn1nccc1OCc1cn2c(=O)n(C)cc(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C18H16FN5O2/c1-22-10-15(12-3-5-13(19)6-4-12)17-21-14(9-24(17)18(22)25)11-26-16-7-8-20-23(16)2/h3-10H,11H2,1-2H3
InChIKeyKOUZCJXJVXTBNK-UHFFFAOYSA-N
XLogP2.15
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 8-(4-fluorophenyl)-6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]imidazo[1,2-c]pyrimidin-5-one (CID 155923239) is 8-(4-fluorophenyl)-6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 8-(4-fluorophenyl)-6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 8-(4-fluorophenyl)-6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]imidazo[1,2-c]pyrimidin-5-one is Cn1nccc1OCc1cn2c(=O)n(C)cc(-c3ccc(F)cc3)c2n1.
What is the InChIKey of 8-(4-fluorophenyl)-6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is KOUZCJXJVXTBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c1-22-10-15(12-3-5-13(19)6-4-12)17-21-14(9-24(17)18(22)25)11-26-16-7-8-20-23(16)2/h3-10H,11H2,1-2H3.
What are the key properties of 8-(4-fluorophenyl)-6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]imidazo[1,2-c]pyrimidin-5-one?
8-(4-fluorophenyl)-6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 353.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-6-methyl-2-[(2-methylpyrazol-3-yl)oxymethyl]imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 155923239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).