5-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(2-methoxypyrimidin-5-yl)-1-methylpyridin-2-one

C20H16FN5O2 — CID 135355210

IUPAC5-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(2-methoxypyrimidin-5-yl)-1-methylpyridin-2-one
SMILESCOc1ncc(-c2cc(=O)n(C)cc2-c2cnn(-c3ccccc3F)c2)cn1
InChIInChI=1S/C20H16FN5O2/c1-25-12-16(14-10-24-26(11-14)18-6-4-3-5-17(18)21)15(7-19(25)27)13-8-22-20(28-2)23-9-13/h3-12H,1-2H3
InChIKeyWBJQKFPNYPBTMD-UHFFFAOYSA-N
MW377.38 g/mol
LogP2.84
Rot. Bonds4

About 5-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(2-methoxypyrimidin-5-yl)-1-methylpyridin-2-one

5-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(2-methoxypyrimidin-5-yl)-1-methylpyridin-2-one (PubChem CID 135355210) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is 5-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(2-methoxypyrimidin-5-yl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(2-methoxypyrimidin-5-yl)-1-methylpyridin-2-one
PubChem CID135355210
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC Name5-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(2-methoxypyrimidin-5-yl)-1-methylpyridin-2-one
SMILESCOc1ncc(-c2cc(=O)n(C)cc2-c2cnn(-c3ccccc3F)c2)cn1
InChIInChI=1S/C20H16FN5O2/c1-25-12-16(14-10-24-26(11-14)18-6-4-3-5-17(18)21)15(7-19(25)27)13-8-22-20(28-2)23-9-13/h3-12H,1-2H3
InChIKeyWBJQKFPNYPBTMD-UHFFFAOYSA-N
XLogP2.84
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(2-methoxypyrimidin-5-yl)-1-methylpyridin-2-one?
The IUPAC name of 5-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(2-methoxypyrimidin-5-yl)-1-methylpyridin-2-one (CID 135355210) is 5-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(2-methoxypyrimidin-5-yl)-1-methylpyridin-2-one.
What is the SMILES notation for 5-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(2-methoxypyrimidin-5-yl)-1-methylpyridin-2-one?
The canonical SMILES for 5-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(2-methoxypyrimidin-5-yl)-1-methylpyridin-2-one is COc1ncc(-c2cc(=O)n(C)cc2-c2cnn(-c3ccccc3F)c2)cn1.
What is the InChIKey of 5-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(2-methoxypyrimidin-5-yl)-1-methylpyridin-2-one?
The InChIKey is WBJQKFPNYPBTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c1-25-12-16(14-10-24-26(11-14)18-6-4-3-5-17(18)21)15(7-19(25)27)13-8-22-20(28-2)23-9-13/h3-12H,1-2H3.
What are the key properties of 5-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(2-methoxypyrimidin-5-yl)-1-methylpyridin-2-one?
5-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(2-methoxypyrimidin-5-yl)-1-methylpyridin-2-one has a molecular weight of 377.38 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-fluorophenyl)pyrazol-4-yl]-4-(2-methoxypyrimidin-5-yl)-1-methylpyridin-2-one is sourced from PubChem (CID 135355210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).