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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Related Compounds

(3R,4S)-4-hydroxy-1-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 164691958
1-methyl-3-phenylmethoxy-2-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]pyridin-4-one
CID 157014373
1-methyl-3-phenylmethoxy-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyridin-4-one
CID 156584833
1-methyl-3-phenylmethoxy-2-[4-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridin-4-one
CID 162632752
1-methyl-3-phenylmethoxy-2-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]pyridin-4-one
CID 162630251
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 156585394
1-methyl-3-phenylmethoxy-2-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)pyridin-4-one
CID 170506152
1-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-3-phenylmethoxypyridin-4-one
CID 162629624
9-(1-methyl-4-oxo-3-phenylmethoxypyridine-2-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 162634339
[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-pyridin-4-ylmethanone
CID 91788675
[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-(2-methyl-1-benzothiophen-3-yl)methanone
CID 154816969
1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one
CID 72884888

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).