3-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one

C22H23FN4O2 — CID 56708811

IUPAC3-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CCCC(c3[nH]ncc3-c3ccc(F)cc3)C2)c(=O)[nH]c1C
InChIInChI=1S/C22H23FN4O2/c1-13-10-18(21(28)25-14(13)2)22(29)27-9-3-4-16(12-27)20-19(11-24-26-20)15-5-7-17(23)8-6-15/h5-8,10-11,16H,3-4,9,12H2,1-2H3,(H,24,26)(H,25,28)
InChIKeyVSBZYQJNPHUBQF-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.54
Rot. Bonds3

About 3-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one

3-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one (PubChem CID 56708811) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 3-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one
PubChem CID56708811
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name3-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CCCC(c3[nH]ncc3-c3ccc(F)cc3)C2)c(=O)[nH]c1C
InChIInChI=1S/C22H23FN4O2/c1-13-10-18(21(28)25-14(13)2)22(29)27-9-3-4-16(12-27)20-19(11-24-26-20)15-5-7-17(23)8-6-15/h5-8,10-11,16H,3-4,9,12H2,1-2H3,(H,24,26)(H,25,28)
InChIKeyVSBZYQJNPHUBQF-UHFFFAOYSA-N
XLogP3.54
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one (CID 56708811) is 3-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one is Cc1cc(C(=O)N2CCCC(c3[nH]ncc3-c3ccc(F)cc3)C2)c(=O)[nH]c1C.
What is the InChIKey of 3-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one?
The InChIKey is VSBZYQJNPHUBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-13-10-18(21(28)25-14(13)2)22(29)27-9-3-4-16(12-27)20-19(11-24-26-20)15-5-7-17(23)8-6-15/h5-8,10-11,16H,3-4,9,12H2,1-2H3,(H,24,26)(H,25,28).
What are the key properties of 3-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one?
3-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one has a molecular weight of 394.45 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]-5,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 56708811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).