2-phenyl-3H-pyrido[2,1-b]purin-4-one

C15H10N4O — CID 10777876

IUPAC2-phenyl-3H-pyrido[2,1-b]purin-4-one
SMILESO=c1nc2ccccn2c2nc(-c3ccccc3)[nH]c12
InChIInChI=1S/C15H10N4O/c20-15-12-14(19-9-5-4-8-11(19)16-15)18-13(17-12)10-6-2-1-3-7-10/h1-9H,(H,17,18)
InChIKeyKAYMSQUGMVIYNG-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.24
Rot. Bonds1

About 2-phenyl-3H-pyrido[2,1-b]purin-4-one

2-phenyl-3H-pyrido[2,1-b]purin-4-one (PubChem CID 10777876) has the molecular formula C15H10N4O and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-phenyl-3H-pyrido[2,1-b]purin-4-one.

Molecular Properties

Compound Name2-phenyl-3H-pyrido[2,1-b]purin-4-one
PubChem CID10777876
Molecular FormulaC15H10N4O
Molecular Weight262.27 g/mol
Exact Mass262.09
IUPAC Name2-phenyl-3H-pyrido[2,1-b]purin-4-one
SMILESO=c1nc2ccccn2c2nc(-c3ccccc3)[nH]c12
InChIInChI=1S/C15H10N4O/c20-15-12-14(19-9-5-4-8-11(19)16-15)18-13(17-12)10-6-2-1-3-7-10/h1-9H,(H,17,18)
InChIKeyKAYMSQUGMVIYNG-UHFFFAOYSA-N
XLogP2.24
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3H-pyrido[2,1-b]purin-4-one?
The IUPAC name of 2-phenyl-3H-pyrido[2,1-b]purin-4-one (CID 10777876) is 2-phenyl-3H-pyrido[2,1-b]purin-4-one.
What is the SMILES notation for 2-phenyl-3H-pyrido[2,1-b]purin-4-one?
The canonical SMILES for 2-phenyl-3H-pyrido[2,1-b]purin-4-one is O=c1nc2ccccn2c2nc(-c3ccccc3)[nH]c12.
What is the InChIKey of 2-phenyl-3H-pyrido[2,1-b]purin-4-one?
The InChIKey is KAYMSQUGMVIYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O/c20-15-12-14(19-9-5-4-8-11(19)16-15)18-13(17-12)10-6-2-1-3-7-10/h1-9H,(H,17,18).
What are the key properties of 2-phenyl-3H-pyrido[2,1-b]purin-4-one?
2-phenyl-3H-pyrido[2,1-b]purin-4-one has a molecular weight of 262.27 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3H-pyrido[2,1-b]purin-4-one is sourced from PubChem (CID 10777876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).