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

C19H13F3N8O — CID 121280472

IUPACN-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]acetamide
SMILESO=C(Cn1cc(-c2ccnc(C(F)(F)F)n2)cn1)Nc1ccc(-c2cnccn2)cn1
InChIInChI=1S/C19H13F3N8O/c20-19(21,22)18-25-4-3-14(28-18)13-8-27-30(10-13)11-17(31)29-16-2-1-12(7-26-16)15-9-23-5-6-24-15/h1-10H,11H2,(H,26,29,31)
InChIKeyZHRRVWXASTVQEN-UHFFFAOYSA-N
MW426.36 g/mol
LogP2.85
Rot. Bonds5

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

N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]acetamide (PubChem CID 121280472) has the molecular formula C19H13F3N8O and a molecular weight of 426.36 g/mol. Its IUPAC name is N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]acetamide
PubChem CID121280472
Molecular FormulaC19H13F3N8O
Molecular Weight426.36 g/mol
Exact Mass426.12
IUPAC NameN-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]acetamide
SMILESO=C(Cn1cc(-c2ccnc(C(F)(F)F)n2)cn1)Nc1ccc(-c2cnccn2)cn1
InChIInChI=1S/C19H13F3N8O/c20-19(21,22)18-25-4-3-14(28-18)13-8-27-30(10-13)11-17(31)29-16-2-1-12(7-26-16)15-9-23-5-6-24-15/h1-10H,11H2,(H,26,29,31)
InChIKeyZHRRVWXASTVQEN-UHFFFAOYSA-N
XLogP2.85
TPSA111.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]acetamide?
The IUPAC name of N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]acetamide (CID 121280472) is N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]acetamide is O=C(Cn1cc(-c2ccnc(C(F)(F)F)n2)cn1)Nc1ccc(-c2cnccn2)cn1.
What is the InChIKey of N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]acetamide?
The InChIKey is ZHRRVWXASTVQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N8O/c20-19(21,22)18-25-4-3-14(28-18)13-8-27-30(10-13)11-17(31)29-16-2-1-12(7-26-16)15-9-23-5-6-24-15/h1-10H,11H2,(H,26,29,31).
What are the key properties of N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]acetamide?
N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]acetamide has a molecular weight of 426.36 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyrazin-2-yl-2-pyridinyl)-2-[4-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 121280472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).