1-methyl-4-(1-methyl-6-oxo-3-pyridinyl)-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one

C22H20N4O4S — CID 135355185

IUPAC1-methyl-4-(1-methyl-6-oxo-3-pyridinyl)-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one
SMILESCn1cc(-c2cc(=O)n(C)cc2-c2cnn(-c3ccccc3S(C)(=O)=O)c2)ccc1=O
InChIInChI=1S/C22H20N4O4S/c1-24-12-15(8-9-21(24)27)17-10-22(28)25(2)14-18(17)16-11-23-26(13-16)19-6-4-5-7-20(19)31(3,29)30/h4-14H,1-3H3
InChIKeyFFLKYMHDIKNPPS-UHFFFAOYSA-N
MW436.49 g/mol
LogP2.01
Rot. Bonds4

About 1-methyl-4-(1-methyl-6-oxo-3-pyridinyl)-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one

1-methyl-4-(1-methyl-6-oxo-3-pyridinyl)-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one (PubChem CID 135355185) has the molecular formula C22H20N4O4S and a molecular weight of 436.49 g/mol. Its IUPAC name is 1-methyl-4-(1-methyl-6-oxo-3-pyridinyl)-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-(1-methyl-6-oxo-3-pyridinyl)-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one
PubChem CID135355185
Molecular FormulaC22H20N4O4S
Molecular Weight436.49 g/mol
Exact Mass436.12
IUPAC Name1-methyl-4-(1-methyl-6-oxo-3-pyridinyl)-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one
SMILESCn1cc(-c2cc(=O)n(C)cc2-c2cnn(-c3ccccc3S(C)(=O)=O)c2)ccc1=O
InChIInChI=1S/C22H20N4O4S/c1-24-12-15(8-9-21(24)27)17-10-22(28)25(2)14-18(17)16-11-23-26(13-16)19-6-4-5-7-20(19)31(3,29)30/h4-14H,1-3H3
InChIKeyFFLKYMHDIKNPPS-UHFFFAOYSA-N
XLogP2.01
TPSA95.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[4-(1-propylpyrazol-4-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
CID 70979873
(E)-N-[4-(1-methylpyrazol-4-yl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
CID 90407734
3-(Benzenesulfonyl)-1-methyl-7-phenyl-5,6-dihydropyrazolo[5,4-h]quinolin-2-one
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US10617680, Example 37
CID 135355130
US10617680, Example 284
CID 135355433
US10617680, Example 286
CID 135355515
US10617680, Example 180
CID 135355524
3,3-dimethyl-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]butanamide
CID 53614352
N-cyclopropyl-3-(methylsulfonyl)-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]propanamide
CID 131928132
1-[(2,4-Difluorophenyl)methyl]-6-[1-(4-methylsulfonylphenyl)pyrazol-4-yl]-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 59726425
5-[4-(2-Fluoro-4-propan-2-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one
CID 134339098
5-[4-(2-Fluoro-4-pentan-3-ylsulfonylphenyl)pyrazol-1-yl]-1-propylpyridin-2-one
CID 138748933

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-methyl-6-oxo-3-pyridinyl)-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one?
The IUPAC name of 1-methyl-4-(1-methyl-6-oxo-3-pyridinyl)-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one (CID 135355185) is 1-methyl-4-(1-methyl-6-oxo-3-pyridinyl)-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-(1-methyl-6-oxo-3-pyridinyl)-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-(1-methyl-6-oxo-3-pyridinyl)-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one is Cn1cc(-c2cc(=O)n(C)cc2-c2cnn(-c3ccccc3S(C)(=O)=O)c2)ccc1=O.
What is the InChIKey of 1-methyl-4-(1-methyl-6-oxo-3-pyridinyl)-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one?
The InChIKey is FFLKYMHDIKNPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4S/c1-24-12-15(8-9-21(24)27)17-10-22(28)25(2)14-18(17)16-11-23-26(13-16)19-6-4-5-7-20(19)31(3,29)30/h4-14H,1-3H3.
What are the key properties of 1-methyl-4-(1-methyl-6-oxo-3-pyridinyl)-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one?
1-methyl-4-(1-methyl-6-oxo-3-pyridinyl)-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one has a molecular weight of 436.49 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-methyl-6-oxo-3-pyridinyl)-5-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyridin-2-one is sourced from PubChem (CID 135355185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).