[3-(3-methylphenoxy)azetidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone

C18H17N3O2 — CID 70723973

IUPAC[3-(3-methylphenoxy)azetidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESCc1cccc(OC2CN(C(=O)c3cnn4ccccc34)C2)c1
InChIInChI=1S/C18H17N3O2/c1-13-5-4-6-14(9-13)23-15-11-20(12-15)18(22)16-10-19-21-8-3-2-7-17(16)21/h2-10,15H,11-12H2,1H3
InChIKeyQOLBRXGCXGDUIS-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.55
Rot. Bonds3

About [3-(3-methylphenoxy)azetidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone

[3-(3-methylphenoxy)azetidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone (PubChem CID 70723973) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is [3-(3-methylphenoxy)azetidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-(3-methylphenoxy)azetidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
PubChem CID70723973
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name[3-(3-methylphenoxy)azetidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESCc1cccc(OC2CN(C(=O)c3cnn4ccccc34)C2)c1
InChIInChI=1S/C18H17N3O2/c1-13-5-4-6-14(9-13)23-15-11-20(12-15)18(22)16-10-19-21-8-3-2-7-17(16)21/h2-10,15H,11-12H2,1H3
InChIKeyQOLBRXGCXGDUIS-UHFFFAOYSA-N
XLogP2.55
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3-methylphenoxy)azetidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The IUPAC name of [3-(3-methylphenoxy)azetidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone (CID 70723973) is [3-(3-methylphenoxy)azetidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone.
What is the SMILES notation for [3-(3-methylphenoxy)azetidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The canonical SMILES for [3-(3-methylphenoxy)azetidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone is Cc1cccc(OC2CN(C(=O)c3cnn4ccccc34)C2)c1.
What is the InChIKey of [3-(3-methylphenoxy)azetidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The InChIKey is QOLBRXGCXGDUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13-5-4-6-14(9-13)23-15-11-20(12-15)18(22)16-10-19-21-8-3-2-7-17(16)21/h2-10,15H,11-12H2,1H3.
What are the key properties of [3-(3-methylphenoxy)azetidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
[3-(3-methylphenoxy)azetidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone has a molecular weight of 307.35 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylphenoxy)azetidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone is sourced from PubChem (CID 70723973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).