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

C21H24N4O — CID 135355361

IUPAC1-methyl-4-(3-methylazetidin-1-yl)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
SMILESCC1CN(c2cc(=O)n(C)cc2-c2cnn(C(C)c3ccccc3)c2)C1
InChIInChI=1S/C21H24N4O/c1-15-11-24(12-15)20-9-21(26)23(3)14-19(20)18-10-22-25(13-18)16(2)17-7-5-4-6-8-17/h4-10,13-16H,11-12H2,1-3H3
InChIKeyAGIOEMMQSOYBBE-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.31
Rot. Bonds4

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

1-methyl-4-(3-methylazetidin-1-yl)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one (PubChem CID 135355361) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-methyl-4-(3-methylazetidin-1-yl)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-(3-methylazetidin-1-yl)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
PubChem CID135355361
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name1-methyl-4-(3-methylazetidin-1-yl)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
SMILESCC1CN(c2cc(=O)n(C)cc2-c2cnn(C(C)c3ccccc3)c2)C1
InChIInChI=1S/C21H24N4O/c1-15-11-24(12-15)20-9-21(26)23(3)14-19(20)18-10-22-25(13-18)16(2)17-7-5-4-6-8-17/h4-10,13-16H,11-12H2,1-3H3
InChIKeyAGIOEMMQSOYBBE-UHFFFAOYSA-N
XLogP3.31
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-3-methyl-1-(1-phenylethyl)-1H-pyrazole-4-carboxamide
CID 89741711
1-[3-[Methyl(2-phenylethyl)amino]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 24790635
1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxo-N-(2-phenyl-2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 164618127
US10617680, Example 160
CID 135355041
US10617680, Example 190
CID 135355186
US10617680, Example 149
CID 135355382
US10617680, Example 147
CID 135355506
US10617680, Example 318
CID 135355558
US10617680, Example 11
CID 140929063
US10617680, Example 35
CID 135355182
US10617680, Example 6
CID 135355311
US10617680, Example 21
CID 135355395

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-methylazetidin-1-yl)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The IUPAC name of 1-methyl-4-(3-methylazetidin-1-yl)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one (CID 135355361) is 1-methyl-4-(3-methylazetidin-1-yl)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-(3-methylazetidin-1-yl)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-(3-methylazetidin-1-yl)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one is CC1CN(c2cc(=O)n(C)cc2-c2cnn(C(C)c3ccccc3)c2)C1.
What is the InChIKey of 1-methyl-4-(3-methylazetidin-1-yl)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
The InChIKey is AGIOEMMQSOYBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-11-24(12-15)20-9-21(26)23(3)14-19(20)18-10-22-25(13-18)16(2)17-7-5-4-6-8-17/h4-10,13-16H,11-12H2,1-3H3.
What are the key properties of 1-methyl-4-(3-methylazetidin-1-yl)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one?
1-methyl-4-(3-methylazetidin-1-yl)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one has a molecular weight of 348.45 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-methylazetidin-1-yl)-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one is sourced from PubChem (CID 135355361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).