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

C23H26F6N6O4 — CID 118745960

IUPAC2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
SMILESCn1nccc1-c1ccc2nc(C3CCN(CC4CC4)CC3)nn2c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C19H24N6.2C2HF3O2/c1-23-17(6-9-20-23)16-4-5-18-21-19(22-25(18)13-16)15-7-10-24(11-8-15)12-14-2-3-14;2*3-2(4,5)1(6)7/h4-6,9,13-15H,2-3,7-8,10-12H2,1H3;2*(H,6,7)
InChIKeyBSZZJZWJDLIEDZ-UHFFFAOYSA-N
MW564.49 g/mol
LogP3.99
Rot. Bonds4

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

2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118745960) has the molecular formula C23H26F6N6O4 and a molecular weight of 564.49 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
PubChem CID118745960
Molecular FormulaC23H26F6N6O4
Molecular Weight564.49 g/mol
Exact Mass564.19
IUPAC Name2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
SMILESCn1nccc1-c1ccc2nc(C3CCN(CC4CC4)CC3)nn2c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C19H24N6.2C2HF3O2/c1-23-17(6-9-20-23)16-4-5-18-21-19(22-25(18)13-16)15-7-10-24(11-8-15)12-14-2-3-14;2*3-2(4,5)1(6)7/h4-6,9,13-15H,2-3,7-8,10-12H2,1H3;2*(H,6,7)
InChIKeyBSZZJZWJDLIEDZ-UHFFFAOYSA-N
XLogP3.99
TPSA125.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.49
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid) (CID 118745960) is 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid) is Cn1nccc1-c1ccc2nc(C3CCN(CC4CC4)CC3)nn2c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is BSZZJZWJDLIEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6.2C2HF3O2/c1-23-17(6-9-20-23)16-4-5-18-21-19(22-25(18)13-16)15-7-10-24(11-8-15)12-14-2-3-14;2*3-2(4,5)1(6)7/h4-6,9,13-15H,2-3,7-8,10-12H2,1H3;2*(H,6,7).
What are the key properties of 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)?
2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 564.49 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)piperidin-4-yl]-6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118745960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).