4-[(2-fluoro-4-indolizin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-3-one

C22H15FN4O — CID 118940830

IUPAC4-[(2-fluoro-4-indolizin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-3-one
SMILESO=c1cnc2ccncc2n1Cc1ccc(-c2ccc3cccn3c2)cc1F
InChIInChI=1S/C22H15FN4O/c23-19-10-15(16-5-6-18-2-1-9-26(18)13-16)3-4-17(19)14-27-21-11-24-8-7-20(21)25-12-22(27)28/h1-13H,14H2
InChIKeyREBKOZYAXCKYTD-UHFFFAOYSA-N
MW370.39 g/mol
LogP3.90
Rot. Bonds3

About 4-[(2-fluoro-4-indolizin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-3-one

4-[(2-fluoro-4-indolizin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-3-one (PubChem CID 118940830) has the molecular formula C22H15FN4O and a molecular weight of 370.39 g/mol. Its IUPAC name is 4-[(2-fluoro-4-indolizin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name4-[(2-fluoro-4-indolizin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-3-one
PubChem CID118940830
Molecular FormulaC22H15FN4O
Molecular Weight370.39 g/mol
Exact Mass370.12
IUPAC Name4-[(2-fluoro-4-indolizin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-3-one
SMILESO=c1cnc2ccncc2n1Cc1ccc(-c2ccc3cccn3c2)cc1F
InChIInChI=1S/C22H15FN4O/c23-19-10-15(16-5-6-18-2-1-9-26(18)13-16)3-4-17(19)14-27-21-11-24-8-7-20(21)25-12-22(27)28/h1-13H,14H2
InChIKeyREBKOZYAXCKYTD-UHFFFAOYSA-N
XLogP3.90
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-4-indolizin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 4-[(2-fluoro-4-indolizin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-3-one (CID 118940830) is 4-[(2-fluoro-4-indolizin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 4-[(2-fluoro-4-indolizin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 4-[(2-fluoro-4-indolizin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-3-one is O=c1cnc2ccncc2n1Cc1ccc(-c2ccc3cccn3c2)cc1F.
What is the InChIKey of 4-[(2-fluoro-4-indolizin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-3-one?
The InChIKey is REBKOZYAXCKYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4O/c23-19-10-15(16-5-6-18-2-1-9-26(18)13-16)3-4-17(19)14-27-21-11-24-8-7-20(21)25-12-22(27)28/h1-13H,14H2.
What are the key properties of 4-[(2-fluoro-4-indolizin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-3-one?
4-[(2-fluoro-4-indolizin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-3-one has a molecular weight of 370.39 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-4-indolizin-6-ylphenyl)methyl]pyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 118940830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).