2-[4-[6-(dimethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

C23H22F3N9O — CID 121280403

IUPAC2-[4-[6-(dimethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(-c3cnccn3)cn2)c(C)c1-c1cc(N(C)C)nc(C(F)(F)F)n1
InChIInChI=1S/C23H22F3N9O/c1-13-21(16-9-19(34(3)4)32-22(30-16)23(24,25)26)14(2)35(33-13)12-20(36)31-18-6-5-15(10-29-18)17-11-27-7-8-28-17/h5-11H,12H2,1-4H3,(H,29,31,36)
InChIKeyMHEHJSITPPJPFU-UHFFFAOYSA-N
MW497.49 g/mol
LogP3.53
Rot. Bonds6

About 2-[4-[6-(dimethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

2-[4-[6-(dimethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 121280403) has the molecular formula C23H22F3N9O and a molecular weight of 497.49 g/mol. Its IUPAC name is 2-[4-[6-(dimethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-[6-(dimethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID121280403
Molecular FormulaC23H22F3N9O
Molecular Weight497.49 g/mol
Exact Mass497.19
IUPAC Name2-[4-[6-(dimethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCc1nn(CC(=O)Nc2ccc(-c3cnccn3)cn2)c(C)c1-c1cc(N(C)C)nc(C(F)(F)F)n1
InChIInChI=1S/C23H22F3N9O/c1-13-21(16-9-19(34(3)4)32-22(30-16)23(24,25)26)14(2)35(33-13)12-20(36)31-18-6-5-15(10-29-18)17-11-27-7-8-28-17/h5-11H,12H2,1-4H3,(H,29,31,36)
InChIKeyMHEHJSITPPJPFU-UHFFFAOYSA-N
XLogP3.53
TPSA114.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(dimethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[4-[6-(dimethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 121280403) is 2-[4-[6-(dimethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-[6-(dimethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[4-[6-(dimethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is Cc1nn(CC(=O)Nc2ccc(-c3cnccn3)cn2)c(C)c1-c1cc(N(C)C)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[4-[6-(dimethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is MHEHJSITPPJPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N9O/c1-13-21(16-9-19(34(3)4)32-22(30-16)23(24,25)26)14(2)35(33-13)12-20(36)31-18-6-5-15(10-29-18)17-11-27-7-8-28-17/h5-11H,12H2,1-4H3,(H,29,31,36).
What are the key properties of 2-[4-[6-(dimethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
2-[4-[6-(dimethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide has a molecular weight of 497.49 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(dimethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 121280403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).