2,6-difluoro-N-[5-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]pyrazin-2-yl]benzamide

C20H15F2N5OS — CID 25177442

IUPAC2,6-difluoro-N-[5-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]pyrazin-2-yl]benzamide
SMILESCc1sc(-c2cncn2C)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C20H15F2N5OS/c1-11-12(6-17(29-11)16-8-23-10-27(16)2)15-7-25-18(9-24-15)26-20(28)19-13(21)4-3-5-14(19)22/h3-10H,1-2H3,(H,25,26,28)
InChIKeySLWNYRLLIBVJIG-UHFFFAOYSA-N
MW411.44 g/mol
LogP4.44
Rot. Bonds4

About 2,6-difluoro-N-[5-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]pyrazin-2-yl]benzamide

2,6-difluoro-N-[5-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]pyrazin-2-yl]benzamide (PubChem CID 25177442) has the molecular formula C20H15F2N5OS and a molecular weight of 411.44 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]pyrazin-2-yl]benzamide
PubChem CID25177442
Molecular FormulaC20H15F2N5OS
Molecular Weight411.44 g/mol
Exact Mass411.10
IUPAC Name2,6-difluoro-N-[5-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]pyrazin-2-yl]benzamide
SMILESCc1sc(-c2cncn2C)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C20H15F2N5OS/c1-11-12(6-17(29-11)16-8-23-10-27(16)2)15-7-25-18(9-24-15)26-20(28)19-13(21)4-3-5-14(19)22/h3-10H,1-2H3,(H,25,26,28)
InChIKeySLWNYRLLIBVJIG-UHFFFAOYSA-N
XLogP4.44
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-difluoro-N-[4-[3-methyl-5-(3-methylimidazol-4-yl)thiophen-2-yl]phenyl]benzamide
CID 25177208
2,6-difluoro-N-[5-[2-(2-hydroxypropan-2-yl)-5-pyridin-3-ylthiophen-3-yl]pyrazin-2-yl]benzamide
CID 59334266
2,6-difluoro-N-[5-(2-prop-1-en-2-yl-5-pyridin-3-ylthiophen-3-yl)pyrazin-2-yl]benzamide
CID 45280646
N-[5-(3,6-dimethyl-2-oxo-1,3-benzoxazol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide
CID 86764193
N-[5-[5-(dimethylamino)-2,4-dimethylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide
CID 123961804
N-[5-(5-bromo-2-methoxy-3-pyridinyl)pyrazin-2-yl]-2,6-difluorobenzamide
CID 11589845
2-fluoro-6-methyl-N-[5-[2-methyl-5-(1-methyltetrazol-5-yl)phenyl]pyrazin-2-yl]benzamide
CID 70323101
carbon dioxide;N-[5-(2,5-dimethylphenyl)pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide
CID 161010800
2-fluoro-6-methyl-N-[5-[2-methyl-5-(1,2-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]benzamide
CID 24876400
ethyl 4-chloro-3-[5-[(2,6-difluorobenzoyl)amino]pyrazin-2-yl]benzoate
CID 11625878
2-fluoro-6-methyl-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide
CID 118009556
2,6-difluoro-N-[4-[2-methyl-5-(1-methyltetrazol-5-yl)thiophen-3-yl]phenyl]benzamide
CID 59334276

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]pyrazin-2-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]pyrazin-2-yl]benzamide (CID 25177442) is 2,6-difluoro-N-[5-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]pyrazin-2-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]pyrazin-2-yl]benzamide is Cc1sc(-c2cncn2C)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.
What is the InChIKey of 2,6-difluoro-N-[5-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]pyrazin-2-yl]benzamide?
The InChIKey is SLWNYRLLIBVJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5OS/c1-11-12(6-17(29-11)16-8-23-10-27(16)2)15-7-25-18(9-24-15)26-20(28)19-13(21)4-3-5-14(19)22/h3-10H,1-2H3,(H,25,26,28).
What are the key properties of 2,6-difluoro-N-[5-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]pyrazin-2-yl]benzamide?
2,6-difluoro-N-[5-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]pyrazin-2-yl]benzamide has a molecular weight of 411.44 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 25177442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).