ethane;1-[3-[2-ethenyl-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]phenyl]-N-[(3-fluoro-2-pyridinyl)methyl]methanesulfonamide

C27H28FN5O3S — CID 143609819

IUPACethane;1-[3-[2-ethenyl-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]phenyl]-N-[(3-fluoro-2-pyridinyl)methyl]methanesulfonamide
SMILESC=Cc1ncc(-c2cnn(C)c2)cc1C(=O)c1cccc(CS(=O)(=O)NCc2ncccc2F)c1.CC
InChIInChI=1S/C25H22FN5O3S.C2H6/c1-3-23-21(11-19(12-28-23)20-13-29-31(2)15-20)25(32)18-7-4-6-17(10-18)16-35(33,34)30-14-24-22(26)8-5-9-27-24;1-2/h3-13,15,30H,1,14,16H2,2H3;1-2H3
InChIKeyVXZOQGFINJPRRT-UHFFFAOYSA-N
MW521.62 g/mol
LogP4.54
Rot. Bonds9

About ethane;1-[3-[2-ethenyl-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]phenyl]-N-[(3-fluoro-2-pyridinyl)methyl]methanesulfonamide

ethane;1-[3-[2-ethenyl-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]phenyl]-N-[(3-fluoro-2-pyridinyl)methyl]methanesulfonamide (PubChem CID 143609819) has the molecular formula C27H28FN5O3S and a molecular weight of 521.62 g/mol. Its IUPAC name is ethane;1-[3-[2-ethenyl-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]phenyl]-N-[(3-fluoro-2-pyridinyl)methyl]methanesulfonamide.

Molecular Properties

Compound Nameethane;1-[3-[2-ethenyl-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]phenyl]-N-[(3-fluoro-2-pyridinyl)methyl]methanesulfonamide
PubChem CID143609819
Molecular FormulaC27H28FN5O3S
Molecular Weight521.62 g/mol
Exact Mass521.19
IUPAC Nameethane;1-[3-[2-ethenyl-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]phenyl]-N-[(3-fluoro-2-pyridinyl)methyl]methanesulfonamide
SMILESC=Cc1ncc(-c2cnn(C)c2)cc1C(=O)c1cccc(CS(=O)(=O)NCc2ncccc2F)c1.CC
InChIInChI=1S/C25H22FN5O3S.C2H6/c1-3-23-21(11-19(12-28-23)20-13-29-31(2)15-20)25(32)18-7-4-6-17(10-18)16-35(33,34)30-14-24-22(26)8-5-9-27-24;1-2/h3-13,15,30H,1,14,16H2,2H3;1-2H3
InChIKeyVXZOQGFINJPRRT-UHFFFAOYSA-N
XLogP4.54
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.62
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethane;1-[3-[2-ethenyl-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]phenyl]-N-[(3-fluoro-2-pyridinyl)methyl]methanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;1-[3-[2-ethenyl-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]phenyl]-N-[(3-fluoro-2-pyridinyl)methyl]methanesulfonamide?
The IUPAC name of ethane;1-[3-[2-ethenyl-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]phenyl]-N-[(3-fluoro-2-pyridinyl)methyl]methanesulfonamide (CID 143609819) is ethane;1-[3-[2-ethenyl-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]phenyl]-N-[(3-fluoro-2-pyridinyl)methyl]methanesulfonamide.
What is the SMILES notation for ethane;1-[3-[2-ethenyl-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]phenyl]-N-[(3-fluoro-2-pyridinyl)methyl]methanesulfonamide?
The canonical SMILES for ethane;1-[3-[2-ethenyl-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]phenyl]-N-[(3-fluoro-2-pyridinyl)methyl]methanesulfonamide is C=Cc1ncc(-c2cnn(C)c2)cc1C(=O)c1cccc(CS(=O)(=O)NCc2ncccc2F)c1.CC.
What is the InChIKey of ethane;1-[3-[2-ethenyl-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]phenyl]-N-[(3-fluoro-2-pyridinyl)methyl]methanesulfonamide?
The InChIKey is VXZOQGFINJPRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O3S.C2H6/c1-3-23-21(11-19(12-28-23)20-13-29-31(2)15-20)25(32)18-7-4-6-17(10-18)16-35(33,34)30-14-24-22(26)8-5-9-27-24;1-2/h3-13,15,30H,1,14,16H2,2H3;1-2H3.
What are the key properties of ethane;1-[3-[2-ethenyl-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]phenyl]-N-[(3-fluoro-2-pyridinyl)methyl]methanesulfonamide?
ethane;1-[3-[2-ethenyl-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]phenyl]-N-[(3-fluoro-2-pyridinyl)methyl]methanesulfonamide has a molecular weight of 521.62 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[3-[2-ethenyl-5-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]phenyl]-N-[(3-fluoro-2-pyridinyl)methyl]methanesulfonamide is sourced from PubChem (CID 143609819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).