6-(2-methylpyrazol-3-yl)-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid

C20H25F3N6O2 — CID 118743315

IUPAC6-(2-methylpyrazol-3-yl)-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CCC(c2nc3ccc(-c4ccnn4C)cn3n2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H24N6.C2HF3O2/c1-13(2)23-10-7-14(8-11-23)18-20-17-5-4-15(12-24(17)21-18)16-6-9-19-22(16)3;3-2(4,5)1(6)7/h4-6,9,12-14H,7-8,10-11H2,1-3H3;(H,6,7)
InChIKeyBYMVGHSHODBNSN-UHFFFAOYSA-N
MW438.45 g/mol
LogP3.35
Rot. Bonds3

About 6-(2-methylpyrazol-3-yl)-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid

6-(2-methylpyrazol-3-yl)-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 118743315) has the molecular formula C20H25F3N6O2 and a molecular weight of 438.45 g/mol. Its IUPAC name is 6-(2-methylpyrazol-3-yl)-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-(2-methylpyrazol-3-yl)-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
PubChem CID118743315
Molecular FormulaC20H25F3N6O2
Molecular Weight438.45 g/mol
Exact Mass438.20
IUPAC Name6-(2-methylpyrazol-3-yl)-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CCC(c2nc3ccc(-c4ccnn4C)cn3n2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H24N6.C2HF3O2/c1-13(2)23-10-7-14(8-11-23)18-20-17-5-4-15(12-24(17)21-18)16-6-9-19-22(16)3;3-2(4,5)1(6)7/h4-6,9,12-14H,7-8,10-11H2,1-3H3;(H,6,7)
InChIKeyBYMVGHSHODBNSN-UHFFFAOYSA-N
XLogP3.35
TPSA88.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpyrazol-3-yl)-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-(2-methylpyrazol-3-yl)-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid (CID 118743315) is 6-(2-methylpyrazol-3-yl)-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-(2-methylpyrazol-3-yl)-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-(2-methylpyrazol-3-yl)-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid is CC(C)N1CCC(c2nc3ccc(-c4ccnn4C)cn3n2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-(2-methylpyrazol-3-yl)-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is BYMVGHSHODBNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6.C2HF3O2/c1-13(2)23-10-7-14(8-11-23)18-20-17-5-4-15(12-24(17)21-18)16-6-9-19-22(16)3;3-2(4,5)1(6)7/h4-6,9,12-14H,7-8,10-11H2,1-3H3;(H,6,7).
What are the key properties of 6-(2-methylpyrazol-3-yl)-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid?
6-(2-methylpyrazol-3-yl)-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 438.45 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpyrazol-3-yl)-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).