2-(ethoxymethyl)pyrazolo[1,5-a]pyridine;2-(ethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;bis(yttrium)

C20H26N4O2Y2-2 — CID 160611359

IUPAC2-(ethoxymethyl)pyrazolo[1,5-a]pyridine;2-(ethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;bis(yttrium)
SMILES[CH2-]COCc1cc2ccccn2n1.[CH2-]COCc1cc2n(n1)CCCC2.[Y].[Y]
InChIInChI=1S/C10H15N2O.C10H11N2O.2Y/c2*1-2-13-8-9-7-10-5-3-4-6-12(10)11-9;;/h7H,1-6,8H2;3-7H,1-2,8H2;;/q2*-1;;
InChIKeyFXAUYIZCWQGERE-UHFFFAOYSA-N
MW532.27 g/mol
LogP3.25
Rot. Bonds6

About 2-(ethoxymethyl)pyrazolo[1,5-a]pyridine;2-(ethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;bis(yttrium)

2-(ethoxymethyl)pyrazolo[1,5-a]pyridine;2-(ethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;bis(yttrium) (PubChem CID 160611359) has the molecular formula C20H26N4O2Y2-2 and a molecular weight of 532.27 g/mol. Its IUPAC name is 2-(ethoxymethyl)pyrazolo[1,5-a]pyridine;2-(ethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;bis(yttrium).

Molecular Properties

Compound Name2-(ethoxymethyl)pyrazolo[1,5-a]pyridine;2-(ethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;bis(yttrium)
PubChem CID160611359
Molecular FormulaC20H26N4O2Y2-2
Molecular Weight532.27 g/mol
Exact Mass532.02
IUPAC Name2-(ethoxymethyl)pyrazolo[1,5-a]pyridine;2-(ethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;bis(yttrium)
SMILES[CH2-]COCc1cc2ccccn2n1.[CH2-]COCc1cc2n(n1)CCCC2.[Y].[Y]
InChIInChI=1S/C10H15N2O.C10H11N2O.2Y/c2*1-2-13-8-9-7-10-5-3-4-6-12(10)11-9;;/h7H,1-6,8H2;3-7H,1-2,8H2;;/q2*-1;;
InChIKeyFXAUYIZCWQGERE-UHFFFAOYSA-N
XLogP3.25
TPSA53.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.27
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)pyrazolo[1,5-a]pyridine;2-(ethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;bis(yttrium)?
The IUPAC name of 2-(ethoxymethyl)pyrazolo[1,5-a]pyridine;2-(ethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;bis(yttrium) (CID 160611359) is 2-(ethoxymethyl)pyrazolo[1,5-a]pyridine;2-(ethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;bis(yttrium).
What is the SMILES notation for 2-(ethoxymethyl)pyrazolo[1,5-a]pyridine;2-(ethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;bis(yttrium)?
The canonical SMILES for 2-(ethoxymethyl)pyrazolo[1,5-a]pyridine;2-(ethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;bis(yttrium) is [CH2-]COCc1cc2ccccn2n1.[CH2-]COCc1cc2n(n1)CCCC2.[Y].[Y].
What is the InChIKey of 2-(ethoxymethyl)pyrazolo[1,5-a]pyridine;2-(ethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;bis(yttrium)?
The InChIKey is FXAUYIZCWQGERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N2O.C10H11N2O.2Y/c2*1-2-13-8-9-7-10-5-3-4-6-12(10)11-9;;/h7H,1-6,8H2;3-7H,1-2,8H2;;/q2*-1;;.
What are the key properties of 2-(ethoxymethyl)pyrazolo[1,5-a]pyridine;2-(ethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;bis(yttrium)?
2-(ethoxymethyl)pyrazolo[1,5-a]pyridine;2-(ethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;bis(yttrium) has a molecular weight of 532.27 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)pyrazolo[1,5-a]pyridine;2-(ethoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;bis(yttrium) is sourced from PubChem (CID 160611359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).