6-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]quinoxaline;2,2,2-trifluoroacetic acid

C19H20F3N5O2 — CID 166247319

IUPAC6-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]quinoxaline;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cnc2cc(-c3cnn(CC4CCNCC4)c3)ccc2n1
InChIInChI=1S/C17H19N5.C2HF3O2/c1-2-16-17(20-8-7-19-16)9-14(1)15-10-21-22(12-15)11-13-3-5-18-6-4-13;3-2(4,5)1(6)7/h1-2,7-10,12-13,18H,3-6,11H2;(H,6,7)
InChIKeyLNIMLUZVXWBLTC-UHFFFAOYSA-N
MW407.40 g/mol
LogP3.13
Rot. Bonds3

About 6-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]quinoxaline;2,2,2-trifluoroacetic acid

6-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]quinoxaline;2,2,2-trifluoroacetic acid (PubChem CID 166247319) has the molecular formula C19H20F3N5O2 and a molecular weight of 407.40 g/mol. Its IUPAC name is 6-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]quinoxaline;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]quinoxaline;2,2,2-trifluoroacetic acid
PubChem CID166247319
Molecular FormulaC19H20F3N5O2
Molecular Weight407.40 g/mol
Exact Mass407.16
IUPAC Name6-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]quinoxaline;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cnc2cc(-c3cnn(CC4CCNCC4)c3)ccc2n1
InChIInChI=1S/C17H19N5.C2HF3O2/c1-2-16-17(20-8-7-19-16)9-14(1)15-10-21-22(12-15)11-13-3-5-18-6-4-13;3-2(4,5)1(6)7/h1-2,7-10,12-13,18H,3-6,11H2;(H,6,7)
InChIKeyLNIMLUZVXWBLTC-UHFFFAOYSA-N
XLogP3.13
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]quinoxaline;2,2,2-trifluoroacetic acid 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 6-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]quinoxaline;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]quinoxaline;2,2,2-trifluoroacetic acid (CID 166247319) is 6-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]quinoxaline;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]quinoxaline;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]quinoxaline;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1cnc2cc(-c3cnn(CC4CCNCC4)c3)ccc2n1.
What is the InChIKey of 6-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]quinoxaline;2,2,2-trifluoroacetic acid?
The InChIKey is LNIMLUZVXWBLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5.C2HF3O2/c1-2-16-17(20-8-7-19-16)9-14(1)15-10-21-22(12-15)11-13-3-5-18-6-4-13;3-2(4,5)1(6)7/h1-2,7-10,12-13,18H,3-6,11H2;(H,6,7).
What are the key properties of 6-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]quinoxaline;2,2,2-trifluoroacetic acid?
6-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]quinoxaline;2,2,2-trifluoroacetic acid has a molecular weight of 407.40 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]quinoxaline;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166247319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).