(2-amino-3-fluoro-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone

C11H15FN4O3S — CID 105386166

IUPAC(2-amino-3-fluoro-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2ccnc(N)c2F)CC1
InChIInChI=1S/C11H15FN4O3S/c1-20(18,19)16-6-4-15(5-7-16)11(17)8-2-3-14-10(13)9(8)12/h2-3H,4-7H2,1H3,(H2,13,14)
InChIKeyXHTIWOQBIVYUBB-UHFFFAOYSA-N
MW302.33 g/mol
LogP-0.48
Rot. Bonds2

About (2-amino-3-fluoro-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone

(2-amino-3-fluoro-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 105386166) has the molecular formula C11H15FN4O3S and a molecular weight of 302.33 g/mol. Its IUPAC name is (2-amino-3-fluoro-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-fluoro-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID105386166
Molecular FormulaC11H15FN4O3S
Molecular Weight302.33 g/mol
Exact Mass302.08
IUPAC Name(2-amino-3-fluoro-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCN(C(=O)c2ccnc(N)c2F)CC1
InChIInChI=1S/C11H15FN4O3S/c1-20(18,19)16-6-4-15(5-7-16)11(17)8-2-3-14-10(13)9(8)12/h2-3H,4-7H2,1H3,(H2,13,14)
InChIKeyXHTIWOQBIVYUBB-UHFFFAOYSA-N
XLogP-0.48
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-amino-3-fluoro-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-amino-3-fluoro-4-pyridinyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 105386193
(3-hydroxy-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 80706680
2-(3-aminopyrazin-2-yl)sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 106678701
(2-amino-3-fluoro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 105387522
(2,5-difluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 110804484
(5-chloro-2-fluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 47136662
(5-amino-2-methylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 61292135
(4-amino-3,5-difluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 63186086
2-amino-3-fluoro-N-(3-methylsulfonylpropyl)pyridine-4-carboxamide
CID 105385347
(2,3-difluoro-4-pyridinyl)-pyrrolidin-1-ylmethanone
CID 105380117
(2-bromophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 1244172
(3-aminopyrazin-2-yl)-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 24596233

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-fluoro-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (2-amino-3-fluoro-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone (CID 105386166) is (2-amino-3-fluoro-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-amino-3-fluoro-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (2-amino-3-fluoro-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone is CS(=O)(=O)N1CCN(C(=O)c2ccnc(N)c2F)CC1.
What is the InChIKey of (2-amino-3-fluoro-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is XHTIWOQBIVYUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O3S/c1-20(18,19)16-6-4-15(5-7-16)11(17)8-2-3-14-10(13)9(8)12/h2-3H,4-7H2,1H3,(H2,13,14).
What are the key properties of (2-amino-3-fluoro-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone?
(2-amino-3-fluoro-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 302.33 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-fluoro-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 105386166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).