5-fluoro-1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(4-phenoxyphenyl)ethoxy]pyrimidin-2-one

C23H21FN4O3 — CID 57383141

IUPAC5-fluoro-1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(4-phenoxyphenyl)ethoxy]pyrimidin-2-one
SMILESCn1cc(Cn2cc(F)c(OCCc3ccc(Oc4ccccc4)cc3)nc2=O)cn1
InChIInChI=1S/C23H21FN4O3/c1-27-14-18(13-25-27)15-28-16-21(24)22(26-23(28)29)30-12-11-17-7-9-20(10-8-17)31-19-5-3-2-4-6-19/h2-10,13-14,16H,11-12,15H2,1H3
InChIKeyGLMUVUCKDZAPDL-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.58
Rot. Bonds8

About 5-fluoro-1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(4-phenoxyphenyl)ethoxy]pyrimidin-2-one

5-fluoro-1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(4-phenoxyphenyl)ethoxy]pyrimidin-2-one (PubChem CID 57383141) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is 5-fluoro-1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(4-phenoxyphenyl)ethoxy]pyrimidin-2-one.

Molecular Properties

Compound Name5-fluoro-1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(4-phenoxyphenyl)ethoxy]pyrimidin-2-one
PubChem CID57383141
Molecular FormulaC23H21FN4O3
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC Name5-fluoro-1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(4-phenoxyphenyl)ethoxy]pyrimidin-2-one
SMILESCn1cc(Cn2cc(F)c(OCCc3ccc(Oc4ccccc4)cc3)nc2=O)cn1
InChIInChI=1S/C23H21FN4O3/c1-27-14-18(13-25-27)15-28-16-21(24)22(26-23(28)29)30-12-11-17-7-9-20(10-8-17)31-19-5-3-2-4-6-19/h2-10,13-14,16H,11-12,15H2,1H3
InChIKeyGLMUVUCKDZAPDL-UHFFFAOYSA-N
XLogP3.58
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(4-phenoxyphenyl)ethoxy]pyrimidin-2-one?
The IUPAC name of 5-fluoro-1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(4-phenoxyphenyl)ethoxy]pyrimidin-2-one (CID 57383141) is 5-fluoro-1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(4-phenoxyphenyl)ethoxy]pyrimidin-2-one.
What is the SMILES notation for 5-fluoro-1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(4-phenoxyphenyl)ethoxy]pyrimidin-2-one?
The canonical SMILES for 5-fluoro-1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(4-phenoxyphenyl)ethoxy]pyrimidin-2-one is Cn1cc(Cn2cc(F)c(OCCc3ccc(Oc4ccccc4)cc3)nc2=O)cn1.
What is the InChIKey of 5-fluoro-1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(4-phenoxyphenyl)ethoxy]pyrimidin-2-one?
The InChIKey is GLMUVUCKDZAPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3/c1-27-14-18(13-25-27)15-28-16-21(24)22(26-23(28)29)30-12-11-17-7-9-20(10-8-17)31-19-5-3-2-4-6-19/h2-10,13-14,16H,11-12,15H2,1H3.
What are the key properties of 5-fluoro-1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(4-phenoxyphenyl)ethoxy]pyrimidin-2-one?
5-fluoro-1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(4-phenoxyphenyl)ethoxy]pyrimidin-2-one has a molecular weight of 420.44 g/mol, XLogP of 3.58, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(1-methylpyrazol-4-yl)methyl]-4-[2-(4-phenoxyphenyl)ethoxy]pyrimidin-2-one is sourced from PubChem (CID 57383141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).