(5-methylpyrazin-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

C16H16F3N5O — CID 2810682

IUPAC(5-methylpyrazin-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cn1
InChIInChI=1S/C16H16F3N5O/c1-11-8-21-13(10-20-11)15(25)24-6-4-23(5-7-24)14-3-2-12(9-22-14)16(17,18)19/h2-3,8-10H,4-7H2,1H3
InChIKeyGRUZCKVWRNBTFO-UHFFFAOYSA-N
MW351.33 g/mol
LogP2.16
Rot. Bonds2

About (5-methylpyrazin-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

(5-methylpyrazin-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 2810682) has the molecular formula C16H16F3N5O and a molecular weight of 351.33 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID2810682
Molecular FormulaC16H16F3N5O
Molecular Weight351.33 g/mol
Exact Mass351.13
IUPAC Name(5-methylpyrazin-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cn1
InChIInChI=1S/C16H16F3N5O/c1-11-8-21-13(10-20-11)15(25)24-6-4-23(5-7-24)14-3-2-12(9-22-14)16(17,18)19/h2-3,8-10H,4-7H2,1H3
InChIKeyGRUZCKVWRNBTFO-UHFFFAOYSA-N
XLogP2.16
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-methylpyrazin-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone 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 (5-methylpyrazin-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of (5-methylpyrazin-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (CID 2810682) is (5-methylpyrazin-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-methylpyrazin-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-methylpyrazin-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is Cc1cnc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cn1.
What is the InChIKey of (5-methylpyrazin-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is GRUZCKVWRNBTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O/c1-11-8-21-13(10-20-11)15(25)24-6-4-23(5-7-24)14-3-2-12(9-22-14)16(17,18)19/h2-3,8-10H,4-7H2,1H3.
What are the key properties of (5-methylpyrazin-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
(5-methylpyrazin-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 351.33 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazin-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 2810682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).