[3-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone

C21H21N5O3S — CID 110214384

IUPAC[3-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCS(=O)(=O)c1cnc(-c2ccccn2)nc1C1CCCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C21H21N5O3S/c1-30(28,29)18-13-24-20(16-8-2-4-10-22-16)25-19(18)15-7-6-12-26(14-15)21(27)17-9-3-5-11-23-17/h2-5,8-11,13,15H,6-7,12,14H2,1H3
InChIKeyNJVNFENKFWKWQF-UHFFFAOYSA-N
MW423.50 g/mol
LogP2.36
Rot. Bonds4

About [3-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone

[3-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 110214384) has the molecular formula C21H21N5O3S and a molecular weight of 423.50 g/mol. Its IUPAC name is [3-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID110214384
Molecular FormulaC21H21N5O3S
Molecular Weight423.50 g/mol
Exact Mass423.14
IUPAC Name[3-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCS(=O)(=O)c1cnc(-c2ccccn2)nc1C1CCCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C21H21N5O3S/c1-30(28,29)18-13-24-20(16-8-2-4-10-22-16)25-19(18)15-7-6-12-26(14-15)21(27)17-9-3-5-11-23-17/h2-5,8-11,13,15H,6-7,12,14H2,1H3
InChIKeyNJVNFENKFWKWQF-UHFFFAOYSA-N
XLogP2.36
TPSA106.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

pyridin-4-yl-[(3R)-3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 51590860
1-methyl-4-[4-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 110214414
1-[(3R)-3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 51583286
[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 125001889
[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 125001888
2-methyl-1-[3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 46965163
2-methyl-1-[(3R)-3-(2-pyridin-2-yl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 51584074
[3-[6-(3-methylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110110209
[3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110095314
[3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 110091917
pyridin-2-yl-[(3R)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 92577676
[(3R)-3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 124999728

Frequently Asked Questions

What is the IUPAC name of [3-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone (CID 110214384) is [3-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone is CS(=O)(=O)c1cnc(-c2ccccn2)nc1C1CCCN(C(=O)c2ccccn2)C1.
What is the InChIKey of [3-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is NJVNFENKFWKWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3S/c1-30(28,29)18-13-24-20(16-8-2-4-10-22-16)25-19(18)15-7-6-12-26(14-15)21(27)17-9-3-5-11-23-17/h2-5,8-11,13,15H,6-7,12,14H2,1H3.
What are the key properties of [3-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
[3-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 423.50 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methylsulfonyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 110214384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).