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

C22H18F3N7O — CID 121280483

IUPAC2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrimidin-2-yl-2-pyridinyl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(-c3ncccn3)cn2)c(C)c1-c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C22H18F3N7O/c1-13-20(15-6-9-26-17(10-15)22(23,24)25)14(2)32(31-13)12-19(33)30-18-5-4-16(11-29-18)21-27-7-3-8-28-21/h3-11H,12H2,1-2H3,(H,29,30,33)
InChIKeyDCYDLOUEGPEWDN-UHFFFAOYSA-N
MW453.43 g/mol
LogP4.07
Rot. Bonds5

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

2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrimidin-2-yl-2-pyridinyl)acetamide (PubChem CID 121280483) has the molecular formula C22H18F3N7O and a molecular weight of 453.43 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrimidin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrimidin-2-yl-2-pyridinyl)acetamide
PubChem CID121280483
Molecular FormulaC22H18F3N7O
Molecular Weight453.43 g/mol
Exact Mass453.15
IUPAC Name2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrimidin-2-yl-2-pyridinyl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(-c3ncccn3)cn2)c(C)c1-c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C22H18F3N7O/c1-13-20(15-6-9-26-17(10-15)22(23,24)25)14(2)32(31-13)12-19(33)30-18-5-4-16(11-29-18)21-27-7-3-8-28-21/h3-11H,12H2,1-2H3,(H,29,30,33)
InChIKeyDCYDLOUEGPEWDN-UHFFFAOYSA-N
XLogP4.07
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.43
LogP ≤ 54.07
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-(5-pyrimidin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrimidin-2-yl-2-pyridinyl)acetamide (CID 121280483) is 2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrimidin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrimidin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrimidin-2-yl-2-pyridinyl)acetamide is Cc1nn(CC(=O)Nc2ccc(-c3ncccn3)cn2)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-(5-pyrimidin-2-yl-2-pyridinyl)acetamide?
The InChIKey is DCYDLOUEGPEWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N7O/c1-13-20(15-6-9-26-17(10-15)22(23,24)25)14(2)32(31-13)12-19(33)30-18-5-4-16(11-29-18)21-27-7-3-8-28-21/h3-11H,12H2,1-2H3,(H,29,30,33).
What are the key properties of 2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrimidin-2-yl-2-pyridinyl)acetamide?
2-[3,5-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrimidin-2-yl-2-pyridinyl)acetamide has a molecular weight of 453.43 g/mol, XLogP of 4.07, 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-(5-pyrimidin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 121280483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).