2,6-difluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]benzamide

C22H16F2N4O — CID 58486942

IUPAC2,6-difluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]benzamide
SMILESCn1nc(-c2ccccc2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1
InChIInChI=1S/C22H16F2N4O/c1-28-19(12-18(27-28)14-6-3-2-4-7-14)15-10-11-20(25-13-15)26-22(29)21-16(23)8-5-9-17(21)24/h2-13H,1H3,(H,25,26,29)
InChIKeyQHNKVUQMUAHCTH-UHFFFAOYSA-N
MW390.39 g/mol
LogP4.68
Rot. Bonds4

About 2,6-difluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]benzamide

2,6-difluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]benzamide (PubChem CID 58486942) has the molecular formula C22H16F2N4O and a molecular weight of 390.39 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]benzamide
PubChem CID58486942
Molecular FormulaC22H16F2N4O
Molecular Weight390.39 g/mol
Exact Mass390.13
IUPAC Name2,6-difluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]benzamide
SMILESCn1nc(-c2ccccc2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1
InChIInChI=1S/C22H16F2N4O/c1-28-19(12-18(27-28)14-6-3-2-4-7-14)15-10-11-20(25-13-15)26-22(29)21-16(23)8-5-9-17(21)24/h2-13H,1H3,(H,25,26,29)
InChIKeyQHNKVUQMUAHCTH-UHFFFAOYSA-N
XLogP4.68
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,6-difluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]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-phenylpyrazol-5-yl)-2-pyridinyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]benzamide (CID 58486942) is 2,6-difluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]benzamide is Cn1nc(-c2ccccc2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.
What is the InChIKey of 2,6-difluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]benzamide?
The InChIKey is QHNKVUQMUAHCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O/c1-28-19(12-18(27-28)14-6-3-2-4-7-14)15-10-11-20(25-13-15)26-22(29)21-16(23)8-5-9-17(21)24/h2-13H,1H3,(H,25,26,29).
What are the key properties of 2,6-difluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]benzamide?
2,6-difluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]benzamide has a molecular weight of 390.39 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-(1-methyl-3-phenylpyrazol-5-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 58486942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).