1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-pyridin-3-ylethanone

C17H18F3N5O — CID 70760220

IUPAC1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-pyridin-3-ylethanone
SMILESCc1cc(C(F)(F)F)nc(N2CCN(C(=O)Cc3cccnc3)CC2)n1
InChIInChI=1S/C17H18F3N5O/c1-12-9-14(17(18,19)20)23-16(22-12)25-7-5-24(6-8-25)15(26)10-13-3-2-4-21-11-13/h2-4,9,11H,5-8,10H2,1H3
InChIKeyHTJLKWMZMAZANP-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.09
Rot. Bonds3

About 1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-pyridin-3-ylethanone

1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-pyridin-3-ylethanone (PubChem CID 70760220) has the molecular formula C17H18F3N5O and a molecular weight of 365.36 g/mol. Its IUPAC name is 1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-pyridin-3-ylethanone
PubChem CID70760220
Molecular FormulaC17H18F3N5O
Molecular Weight365.36 g/mol
Exact Mass365.15
IUPAC Name1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-pyridin-3-ylethanone
SMILESCc1cc(C(F)(F)F)nc(N2CCN(C(=O)Cc3cccnc3)CC2)n1
InChIInChI=1S/C17H18F3N5O/c1-12-9-14(17(18,19)20)23-16(22-12)25-7-5-24(6-8-25)15(26)10-13-3-2-4-21-11-13/h2-4,9,11H,5-8,10H2,1H3
InChIKeyHTJLKWMZMAZANP-UHFFFAOYSA-N
XLogP2.09
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-pyridin-3-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-pyridin-3-ylethanone (CID 70760220) is 1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-pyridin-3-ylethanone is Cc1cc(C(F)(F)F)nc(N2CCN(C(=O)Cc3cccnc3)CC2)n1.
What is the InChIKey of 1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-pyridin-3-ylethanone?
The InChIKey is HTJLKWMZMAZANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O/c1-12-9-14(17(18,19)20)23-16(22-12)25-7-5-24(6-8-25)15(26)10-13-3-2-4-21-11-13/h2-4,9,11H,5-8,10H2,1H3.
What are the key properties of 1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-pyridin-3-ylethanone?
1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-pyridin-3-ylethanone has a molecular weight of 365.36 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 70760220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).