1-methyl-5-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-phenylpyridin-2-one

C21H24N4O3S — CID 135355360

IUPAC1-methyl-5-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-phenylpyridin-2-one
SMILESCn1cc(-c2cnn(C3CCN(S(C)(=O)=O)CC3)c2)c(-c2ccccc2)cc1=O
InChIInChI=1S/C21H24N4O3S/c1-23-15-20(19(12-21(23)26)16-6-4-3-5-7-16)17-13-22-25(14-17)18-8-10-24(11-9-18)29(2,27)28/h3-7,12-15,18H,8-11H2,1-2H3
InChIKeyAPPRPBPCJDGZRL-UHFFFAOYSA-N
MW412.52 g/mol
LogP2.51
Rot. Bonds4

About 1-methyl-5-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-phenylpyridin-2-one

1-methyl-5-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-phenylpyridin-2-one (PubChem CID 135355360) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 1-methyl-5-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-phenylpyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-phenylpyridin-2-one
PubChem CID135355360
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name1-methyl-5-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-phenylpyridin-2-one
SMILESCn1cc(-c2cnn(C3CCN(S(C)(=O)=O)CC3)c2)c(-c2ccccc2)cc1=O
InChIInChI=1S/C21H24N4O3S/c1-23-15-20(19(12-21(23)26)16-6-4-3-5-7-16)17-13-22-25(14-17)18-8-10-24(11-9-18)29(2,27)28/h3-7,12-15,18H,8-11H2,1-2H3
InChIKeyAPPRPBPCJDGZRL-UHFFFAOYSA-N
XLogP2.51
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

US10617680, Example 190
CID 135355186
US10617680, Example 149
CID 135355382
US10617680, Example 21
CID 135355395
US10617680, Example 26
CID 135355442
US10617680, Example 33
CID 135355039
US10617680, Example 146
CID 135355056
US10617680, Example 130
CID 135355071
US10617680, Example 135
CID 135355120
US10617680, Example 37
CID 135355130
US10617680, Example 132
CID 135355137
US10617680, Example 125
CID 135355145
US10617680, Example 172
CID 135355173

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-phenylpyridin-2-one?
The IUPAC name of 1-methyl-5-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-phenylpyridin-2-one (CID 135355360) is 1-methyl-5-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-phenylpyridin-2-one.
What is the SMILES notation for 1-methyl-5-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-phenylpyridin-2-one?
The canonical SMILES for 1-methyl-5-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-phenylpyridin-2-one is Cn1cc(-c2cnn(C3CCN(S(C)(=O)=O)CC3)c2)c(-c2ccccc2)cc1=O.
What is the InChIKey of 1-methyl-5-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-phenylpyridin-2-one?
The InChIKey is APPRPBPCJDGZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-23-15-20(19(12-21(23)26)16-6-4-3-5-7-16)17-13-22-25(14-17)18-8-10-24(11-9-18)29(2,27)28/h3-7,12-15,18H,8-11H2,1-2H3.
What are the key properties of 1-methyl-5-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-phenylpyridin-2-one?
1-methyl-5-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-phenylpyridin-2-one has a molecular weight of 412.52 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-phenylpyridin-2-one is sourced from PubChem (CID 135355360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).