1-(3-fluorophenyl)-4-[5-(1H-pyrazol-4-yl)pyridine-2-carbonyl]piperazin-2-one

C19H16FN5O2 — CID 167896393

IUPAC1-(3-fluorophenyl)-4-[5-(1H-pyrazol-4-yl)pyridine-2-carbonyl]piperazin-2-one
SMILESO=C(c1ccc(-c2cn[nH]c2)cn1)N1CCN(c2cccc(F)c2)C(=O)C1
InChIInChI=1S/C19H16FN5O2/c20-15-2-1-3-16(8-15)25-7-6-24(12-18(25)26)19(27)17-5-4-13(9-21-17)14-10-22-23-11-14/h1-5,8-11H,6-7,12H2,(H,22,23)
InChIKeySQASVQAMNPKPIA-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.10
Rot. Bonds3

About 1-(3-fluorophenyl)-4-[5-(1H-pyrazol-4-yl)pyridine-2-carbonyl]piperazin-2-one

1-(3-fluorophenyl)-4-[5-(1H-pyrazol-4-yl)pyridine-2-carbonyl]piperazin-2-one (PubChem CID 167896393) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4-[5-(1H-pyrazol-4-yl)pyridine-2-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4-[5-(1H-pyrazol-4-yl)pyridine-2-carbonyl]piperazin-2-one
PubChem CID167896393
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC Name1-(3-fluorophenyl)-4-[5-(1H-pyrazol-4-yl)pyridine-2-carbonyl]piperazin-2-one
SMILESO=C(c1ccc(-c2cn[nH]c2)cn1)N1CCN(c2cccc(F)c2)C(=O)C1
InChIInChI=1S/C19H16FN5O2/c20-15-2-1-3-16(8-15)25-7-6-24(12-18(25)26)19(27)17-5-4-13(9-21-17)14-10-22-23-11-14/h1-5,8-11H,6-7,12H2,(H,22,23)
InChIKeySQASVQAMNPKPIA-UHFFFAOYSA-N
XLogP2.10
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4-[5-(1H-pyrazol-4-yl)pyridine-2-carbonyl]piperazin-2-one?
The IUPAC name of 1-(3-fluorophenyl)-4-[5-(1H-pyrazol-4-yl)pyridine-2-carbonyl]piperazin-2-one (CID 167896393) is 1-(3-fluorophenyl)-4-[5-(1H-pyrazol-4-yl)pyridine-2-carbonyl]piperazin-2-one.
What is the SMILES notation for 1-(3-fluorophenyl)-4-[5-(1H-pyrazol-4-yl)pyridine-2-carbonyl]piperazin-2-one?
The canonical SMILES for 1-(3-fluorophenyl)-4-[5-(1H-pyrazol-4-yl)pyridine-2-carbonyl]piperazin-2-one is O=C(c1ccc(-c2cn[nH]c2)cn1)N1CCN(c2cccc(F)c2)C(=O)C1.
What is the InChIKey of 1-(3-fluorophenyl)-4-[5-(1H-pyrazol-4-yl)pyridine-2-carbonyl]piperazin-2-one?
The InChIKey is SQASVQAMNPKPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c20-15-2-1-3-16(8-15)25-7-6-24(12-18(25)26)19(27)17-5-4-13(9-21-17)14-10-22-23-11-14/h1-5,8-11H,6-7,12H2,(H,22,23).
What are the key properties of 1-(3-fluorophenyl)-4-[5-(1H-pyrazol-4-yl)pyridine-2-carbonyl]piperazin-2-one?
1-(3-fluorophenyl)-4-[5-(1H-pyrazol-4-yl)pyridine-2-carbonyl]piperazin-2-one has a molecular weight of 365.37 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-4-[5-(1H-pyrazol-4-yl)pyridine-2-carbonyl]piperazin-2-one is sourced from PubChem (CID 167896393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).