2-[4-[2-(difluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

C20H15F2N7O — CID 121280417

IUPAC2-[4-[2-(difluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESO=C(Cn1cc(-c2ccnc(C(F)F)c2)cn1)Nc1ccc(-c2cnccn2)cn1
InChIInChI=1S/C20H15F2N7O/c21-20(22)16-7-13(3-4-24-16)15-9-27-29(11-15)12-19(30)28-18-2-1-14(8-26-18)17-10-23-5-6-25-17/h1-11,20H,12H2,(H,26,28,30)
InChIKeySGEKGAMFWUDCRL-UHFFFAOYSA-N
MW407.38 g/mol
LogP3.37
Rot. Bonds6

About 2-[4-[2-(difluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

2-[4-[2-(difluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 121280417) has the molecular formula C20H15F2N7O and a molecular weight of 407.38 g/mol. Its IUPAC name is 2-[4-[2-(difluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(difluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID121280417
Molecular FormulaC20H15F2N7O
Molecular Weight407.38 g/mol
Exact Mass407.13
IUPAC Name2-[4-[2-(difluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESO=C(Cn1cc(-c2ccnc(C(F)F)c2)cn1)Nc1ccc(-c2cnccn2)cn1
InChIInChI=1S/C20H15F2N7O/c21-20(22)16-7-13(3-4-24-16)15-9-27-29(11-15)12-19(30)28-18-2-1-14(8-26-18)17-10-23-5-6-25-17/h1-11,20H,12H2,(H,26,28,30)
InChIKeySGEKGAMFWUDCRL-UHFFFAOYSA-N
XLogP3.37
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[2-(difluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide 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-[4-[2-(difluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[4-[2-(difluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 121280417) is 2-[4-[2-(difluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-[2-(difluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[4-[2-(difluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is O=C(Cn1cc(-c2ccnc(C(F)F)c2)cn1)Nc1ccc(-c2cnccn2)cn1.
What is the InChIKey of 2-[4-[2-(difluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is SGEKGAMFWUDCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N7O/c21-20(22)16-7-13(3-4-24-16)15-9-27-29(11-15)12-19(30)28-18-2-1-14(8-26-18)17-10-23-5-6-25-17/h1-11,20H,12H2,(H,26,28,30).
What are the key properties of 2-[4-[2-(difluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
2-[4-[2-(difluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide has a molecular weight of 407.38 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(difluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 121280417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).