2-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]-1-methyl-3-phenylmethoxypyridin-4-one

C22H24N4O3 — CID 156583523

IUPAC2-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]-1-methyl-3-phenylmethoxypyridin-4-one
SMILESCc1cc(C)n(C2CN(C(=O)c3c(OCc4ccccc4)c(=O)ccn3C)C2)n1
InChIInChI=1S/C22H24N4O3/c1-15-11-16(2)26(23-15)18-12-25(13-18)22(28)20-21(19(27)9-10-24(20)3)29-14-17-7-5-4-6-8-17/h4-11,18H,12-14H2,1-3H3
InChIKeyQPSCTILPBQJSQZ-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.47
Rot. Bonds5

About 2-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]-1-methyl-3-phenylmethoxypyridin-4-one

2-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]-1-methyl-3-phenylmethoxypyridin-4-one (PubChem CID 156583523) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]-1-methyl-3-phenylmethoxypyridin-4-one.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]-1-methyl-3-phenylmethoxypyridin-4-one
PubChem CID156583523
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]-1-methyl-3-phenylmethoxypyridin-4-one
SMILESCc1cc(C)n(C2CN(C(=O)c3c(OCc4ccccc4)c(=O)ccn3C)C2)n1
InChIInChI=1S/C22H24N4O3/c1-15-11-16(2)26(23-15)18-12-25(13-18)22(28)20-21(19(27)9-10-24(20)3)29-14-17-7-5-4-6-8-17/h4-11,18H,12-14H2,1-3H3
InChIKeyQPSCTILPBQJSQZ-UHFFFAOYSA-N
XLogP2.47
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]-1-methyl-3-phenylmethoxypyridin-4-one?
The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]-1-methyl-3-phenylmethoxypyridin-4-one (CID 156583523) is 2-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]-1-methyl-3-phenylmethoxypyridin-4-one.
What is the SMILES notation for 2-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]-1-methyl-3-phenylmethoxypyridin-4-one?
The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]-1-methyl-3-phenylmethoxypyridin-4-one is Cc1cc(C)n(C2CN(C(=O)c3c(OCc4ccccc4)c(=O)ccn3C)C2)n1.
What is the InChIKey of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]-1-methyl-3-phenylmethoxypyridin-4-one?
The InChIKey is QPSCTILPBQJSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-11-16(2)26(23-15)18-12-25(13-18)22(28)20-21(19(27)9-10-24(20)3)29-14-17-7-5-4-6-8-17/h4-11,18H,12-14H2,1-3H3.
What are the key properties of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]-1-methyl-3-phenylmethoxypyridin-4-one?
2-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]-1-methyl-3-phenylmethoxypyridin-4-one has a molecular weight of 392.46 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]-1-methyl-3-phenylmethoxypyridin-4-one is sourced from PubChem (CID 156583523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).