(E)-1-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)but-2-en-1-one

C16H13N3O — CID 58641730

IUPAC(E)-1-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)but-2-en-1-one
SMILESC/C=C/C(=O)c1c(-c2ccccn2)nn2ccccc12
InChIInChI=1S/C16H13N3O/c1-2-7-14(20)15-13-9-4-6-11-19(13)18-16(15)12-8-3-5-10-17-12/h2-11H,1H3/b7-2+
InChIKeyANSGNKGZIZVULF-FARCUNLSSA-N
MW263.30 g/mol
LogP3.16
Rot. Bonds3

About (E)-1-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)but-2-en-1-one

(E)-1-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)but-2-en-1-one (PubChem CID 58641730) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is (E)-1-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)but-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)but-2-en-1-one
PubChem CID58641730
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name(E)-1-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)but-2-en-1-one
SMILESC/C=C/C(=O)c1c(-c2ccccn2)nn2ccccc12
InChIInChI=1S/C16H13N3O/c1-2-7-14(20)15-13-9-4-6-11-19(13)18-16(15)12-8-3-5-10-17-12/h2-11H,1H3/b7-2+
InChIKeyANSGNKGZIZVULF-FARCUNLSSA-N
XLogP3.16
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)but-2-en-1-one?
The IUPAC name of (E)-1-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)but-2-en-1-one (CID 58641730) is (E)-1-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)but-2-en-1-one.
What is the SMILES notation for (E)-1-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)but-2-en-1-one?
The canonical SMILES for (E)-1-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)but-2-en-1-one is C/C=C/C(=O)c1c(-c2ccccn2)nn2ccccc12.
What is the InChIKey of (E)-1-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)but-2-en-1-one?
The InChIKey is ANSGNKGZIZVULF-FARCUNLSSA-N. The full InChI is InChI=1S/C16H13N3O/c1-2-7-14(20)15-13-9-4-6-11-19(13)18-16(15)12-8-3-5-10-17-12/h2-11H,1H3/b7-2+.
What are the key properties of (E)-1-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)but-2-en-1-one?
(E)-1-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)but-2-en-1-one has a molecular weight of 263.30 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)but-2-en-1-one is sourced from PubChem (CID 58641730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).