1-[4-[6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid

C19H21F3N6O3 — CID 118743332

IUPAC1-[4-[6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid
SMILESCC(=O)N1CCC(c2nc3ccc(-c4ccnn4C)cn3n2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H20N6O.C2HF3O2/c1-12(24)22-9-6-13(7-10-22)17-19-16-4-3-14(11-23(16)20-17)15-5-8-18-21(15)2;3-2(4,5)1(6)7/h3-5,8,11,13H,6-7,9-10H2,1-2H3;(H,6,7)
InChIKeyHTPNMGUCTYKEOC-UHFFFAOYSA-N
MW438.41 g/mol
LogP2.49
Rot. Bonds2

About 1-[4-[6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid

1-[4-[6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid (PubChem CID 118743332) has the molecular formula C19H21F3N6O3 and a molecular weight of 438.41 g/mol. Its IUPAC name is 1-[4-[6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[4-[6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid
PubChem CID118743332
Molecular FormulaC19H21F3N6O3
Molecular Weight438.41 g/mol
Exact Mass438.16
IUPAC Name1-[4-[6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid
SMILESCC(=O)N1CCC(c2nc3ccc(-c4ccnn4C)cn3n2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H20N6O.C2HF3O2/c1-12(24)22-9-6-13(7-10-22)17-19-16-4-3-14(11-23(16)20-17)15-5-8-18-21(15)2;3-2(4,5)1(6)7/h3-5,8,11,13H,6-7,9-10H2,1-2H3;(H,6,7)
InChIKeyHTPNMGUCTYKEOC-UHFFFAOYSA-N
XLogP2.49
TPSA105.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[4-[6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid (CID 118743332) is 1-[4-[6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[4-[6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[4-[6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid is CC(=O)N1CCC(c2nc3ccc(-c4ccnn4C)cn3n2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[4-[6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid?
The InChIKey is HTPNMGUCTYKEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O.C2HF3O2/c1-12(24)22-9-6-13(7-10-22)17-19-16-4-3-14(11-23(16)20-17)15-5-8-18-21(15)2;3-2(4,5)1(6)7/h3-5,8,11,13H,6-7,9-10H2,1-2H3;(H,6,7).
What are the key properties of 1-[4-[6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid?
1-[4-[6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid has a molecular weight of 438.41 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]ethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).