4-(1-acetylazetidin-3-yl)oxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one

C22H24N4O3 — CID 135355178

IUPAC4-(1-acetylazetidin-3-yl)oxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
SMILESCC(=O)N1CC(Oc2cc(=O)n(C)cc2-c2cnn(C(C)c3ccccc3)c2)C1
InChIInChI=1S/C22H24N4O3/c1-15(17-7-5-4-6-8-17)26-11-18(10-23-26)20-14-24(3)22(28)9-21(20)29-19-12-25(13-19)16(2)27/h4-11,14-15,19H,12-13H2,1-3H3
InChIKeyYPDMSNLWSYMBBC-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.47
Rot. Bonds5

About 4-(1-acetylazetidin-3-yl)oxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one

4-(1-acetylazetidin-3-yl)oxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one (PubChem CID 135355178) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-(1-acetylazetidin-3-yl)oxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name4-(1-acetylazetidin-3-yl)oxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
PubChem CID135355178
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name4-(1-acetylazetidin-3-yl)oxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
SMILESCC(=O)N1CC(Oc2cc(=O)n(C)cc2-c2cnn(C(C)c3ccccc3)c2)C1
InChIInChI=1S/C22H24N4O3/c1-15(17-7-5-4-6-8-17)26-11-18(10-23-26)20-14-24(3)22(28)9-21(20)29-19-12-25(13-19)16(2)27/h4-11,14-15,19H,12-13H2,1-3H3
InChIKeyYPDMSNLWSYMBBC-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 4-(1-acetylazetidin-3-yl)oxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The IUPAC name of 4-(1-acetylazetidin-3-yl)oxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one (CID 135355178) is 4-(1-acetylazetidin-3-yl)oxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one.
What is the SMILES notation for 4-(1-acetylazetidin-3-yl)oxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The canonical SMILES for 4-(1-acetylazetidin-3-yl)oxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one is CC(=O)N1CC(Oc2cc(=O)n(C)cc2-c2cnn(C(C)c3ccccc3)c2)C1.
What is the InChIKey of 4-(1-acetylazetidin-3-yl)oxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The InChIKey is YPDMSNLWSYMBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15(17-7-5-4-6-8-17)26-11-18(10-23-26)20-14-24(3)22(28)9-21(20)29-19-12-25(13-19)16(2)27/h4-11,14-15,19H,12-13H2,1-3H3.
What are the key properties of 4-(1-acetylazetidin-3-yl)oxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
4-(1-acetylazetidin-3-yl)oxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-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 4-(1-acetylazetidin-3-yl)oxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one is sourced from PubChem (CID 135355178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).