1-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)-3-pyridinyl]ethanone

C15H17N3O2 — CID 71813657

IUPAC1-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(COc2cc3n(n2)CCCC3)nc1
InChIInChI=1S/C15H17N3O2/c1-11(19)12-5-6-13(16-9-12)10-20-15-8-14-4-2-3-7-18(14)17-15/h5-6,8-9H,2-4,7,10H2,1H3
InChIKeySJNPYRQIBJVRAO-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.40
Rot. Bonds4

About 1-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)-3-pyridinyl]ethanone

1-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)-3-pyridinyl]ethanone (PubChem CID 71813657) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)-3-pyridinyl]ethanone
PubChem CID71813657
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(COc2cc3n(n2)CCCC3)nc1
InChIInChI=1S/C15H17N3O2/c1-11(19)12-5-6-13(16-9-12)10-20-15-8-14-4-2-3-7-18(14)17-15/h5-6,8-9H,2-4,7,10H2,1H3
InChIKeySJNPYRQIBJVRAO-UHFFFAOYSA-N
XLogP2.40
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)-3-pyridinyl]ethanone (CID 71813657) is 1-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)-3-pyridinyl]ethanone is CC(=O)c1ccc(COc2cc3n(n2)CCCC3)nc1.
What is the InChIKey of 1-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)-3-pyridinyl]ethanone?
The InChIKey is SJNPYRQIBJVRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11(19)12-5-6-13(16-9-12)10-20-15-8-14-4-2-3-7-18(14)17-15/h5-6,8-9H,2-4,7,10H2,1H3.
What are the key properties of 1-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)-3-pyridinyl]ethanone?
1-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)-3-pyridinyl]ethanone has a molecular weight of 271.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 71813657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).