2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-fluoro-5-pyrazin-2-yl-2-pyridinyl)acetamide

C22H17F4N7O — CID 121280467

IUPAC2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-fluoro-5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCc1nn(CC(=O)Nc2ncc(-c3cnccn3)cc2F)c(C)c1-c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C22H17F4N7O/c1-12-20(14-3-4-29-18(8-14)22(24,25)26)13(2)33(32-12)11-19(34)31-21-16(23)7-15(9-30-21)17-10-27-5-6-28-17/h3-10H,11H2,1-2H3,(H,30,31,34)
InChIKeyOLXWNBFARZANKB-UHFFFAOYSA-N
MW471.42 g/mol
LogP4.21
Rot. Bonds5

About 2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-fluoro-5-pyrazin-2-yl-2-pyridinyl)acetamide

2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-fluoro-5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 121280467) has the molecular formula C22H17F4N7O and a molecular weight of 471.42 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-fluoro-5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-fluoro-5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID121280467
Molecular FormulaC22H17F4N7O
Molecular Weight471.42 g/mol
Exact Mass471.14
IUPAC Name2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-fluoro-5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCc1nn(CC(=O)Nc2ncc(-c3cnccn3)cc2F)c(C)c1-c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C22H17F4N7O/c1-12-20(14-3-4-29-18(8-14)22(24,25)26)13(2)33(32-12)11-19(34)31-21-16(23)7-15(9-30-21)17-10-27-5-6-28-17/h3-10H,11H2,1-2H3,(H,30,31,34)
InChIKeyOLXWNBFARZANKB-UHFFFAOYSA-N
XLogP4.21
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-fluoro-5-pyrazin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-fluoro-5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 121280467) is 2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-fluoro-5-pyrazin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-fluoro-5-pyrazin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-fluoro-5-pyrazin-2-yl-2-pyridinyl)acetamide is Cc1nn(CC(=O)Nc2ncc(-c3cnccn3)cc2F)c(C)c1-c1ccnc(C(F)(F)F)c1.
What is the InChIKey of 2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-fluoro-5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is OLXWNBFARZANKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N7O/c1-12-20(14-3-4-29-18(8-14)22(24,25)26)13(2)33(32-12)11-19(34)31-21-16(23)7-15(9-30-21)17-10-27-5-6-28-17/h3-10H,11H2,1-2H3,(H,30,31,34).
What are the key properties of 2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-fluoro-5-pyrazin-2-yl-2-pyridinyl)acetamide?
2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-fluoro-5-pyrazin-2-yl-2-pyridinyl)acetamide has a molecular weight of 471.42 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-fluoro-5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 121280467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).