2,6-difluoro-N-[5-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)thiophen-2-yl]benzamide

C20H14F2N4OS — CID 73442926

IUPAC2,6-difluoro-N-[5-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)thiophen-2-yl]benzamide
SMILESCn1nc(-c2ccccn2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)s1
InChIInChI=1S/C20H14F2N4OS/c1-26-16(11-15(25-26)14-7-2-3-10-23-14)17-8-9-18(28-17)24-20(27)19-12(21)5-4-6-13(19)22/h2-11H,1H3,(H,24,27)
InChIKeyYCTVKAJJLDJCRD-UHFFFAOYSA-N
MW396.42 g/mol
LogP4.74
Rot. Bonds4

About 2,6-difluoro-N-[5-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)thiophen-2-yl]benzamide

2,6-difluoro-N-[5-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)thiophen-2-yl]benzamide (PubChem CID 73442926) has the molecular formula C20H14F2N4OS and a molecular weight of 396.42 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)thiophen-2-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)thiophen-2-yl]benzamide
PubChem CID73442926
Molecular FormulaC20H14F2N4OS
Molecular Weight396.42 g/mol
Exact Mass396.09
IUPAC Name2,6-difluoro-N-[5-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)thiophen-2-yl]benzamide
SMILESCn1nc(-c2ccccn2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)s1
InChIInChI=1S/C20H14F2N4OS/c1-26-16(11-15(25-26)14-7-2-3-10-23-14)17-8-9-18(28-17)24-20(27)19-12(21)5-4-6-13(19)22/h2-11H,1H3,(H,24,27)
InChIKeyYCTVKAJJLDJCRD-UHFFFAOYSA-N
XLogP4.74
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,6-difluoro-N-[5-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)thiophen-2-yl]benzamide 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 2,6-difluoro-N-[5-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)thiophen-2-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)thiophen-2-yl]benzamide (CID 73442926) is 2,6-difluoro-N-[5-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)thiophen-2-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)thiophen-2-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)thiophen-2-yl]benzamide is Cn1nc(-c2ccccn2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)s1.
What is the InChIKey of 2,6-difluoro-N-[5-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)thiophen-2-yl]benzamide?
The InChIKey is YCTVKAJJLDJCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4OS/c1-26-16(11-15(25-26)14-7-2-3-10-23-14)17-8-9-18(28-17)24-20(27)19-12(21)5-4-6-13(19)22/h2-11H,1H3,(H,24,27).
What are the key properties of 2,6-difluoro-N-[5-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)thiophen-2-yl]benzamide?
2,6-difluoro-N-[5-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)thiophen-2-yl]benzamide has a molecular weight of 396.42 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)thiophen-2-yl]benzamide is sourced from PubChem (CID 73442926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).