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

C23H20F3N7O — CID 121280465

IUPAC2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCc1cc(-c2cnccn2)cnc1NC(=O)Cn1nc(C)c(-c2ccnc(C(F)(F)F)c2)c1C
InChIInChI=1S/C23H20F3N7O/c1-13-8-17(18-11-27-6-7-28-18)10-30-22(13)31-20(34)12-33-15(3)21(14(2)32-33)16-4-5-29-19(9-16)23(24,25)26/h4-11H,12H2,1-3H3,(H,30,31,34)
InChIKeyCEMWZVHUZCCWBM-UHFFFAOYSA-N
MW467.46 g/mol
LogP4.38
Rot. Bonds5

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

2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 121280465) has the molecular formula C23H20F3N7O and a molecular weight of 467.46 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID121280465
Molecular FormulaC23H20F3N7O
Molecular Weight467.46 g/mol
Exact Mass467.17
IUPAC Name2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCc1cc(-c2cnccn2)cnc1NC(=O)Cn1nc(C)c(-c2ccnc(C(F)(F)F)c2)c1C
InChIInChI=1S/C23H20F3N7O/c1-13-8-17(18-11-27-6-7-28-18)10-30-22(13)31-20(34)12-33-15(3)21(14(2)32-33)16-4-5-29-19(9-16)23(24,25)26/h4-11H,12H2,1-3H3,(H,30,31,34)
InChIKeyCEMWZVHUZCCWBM-UHFFFAOYSA-N
XLogP4.38
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.46
LogP ≤ 54.38
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-methyl-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-methyl-5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 121280465) is 2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-methyl-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-methyl-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-methyl-5-pyrazin-2-yl-2-pyridinyl)acetamide is Cc1cc(-c2cnccn2)cnc1NC(=O)Cn1nc(C)c(-c2ccnc(C(F)(F)F)c2)c1C.
What is the InChIKey of 2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is CEMWZVHUZCCWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N7O/c1-13-8-17(18-11-27-6-7-28-18)10-30-22(13)31-20(34)12-33-15(3)21(14(2)32-33)16-4-5-29-19(9-16)23(24,25)26/h4-11H,12H2,1-3H3,(H,30,31,34).
What are the key properties of 2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)acetamide?
2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(3-methyl-5-pyrazin-2-yl-2-pyridinyl)acetamide has a molecular weight of 467.46 g/mol, XLogP of 4.38, 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-methyl-5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 121280465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).