1-[[3-(1H-isoindol-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-2-one

C22H16N4O — CID 118940905

IUPAC1-[[3-(1H-isoindol-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-2-one
SMILESO=c1cnc2ncccc2n1Cc1cccc(-c2ccc3c(c2)C=NC3)c1
InChIInChI=1S/C22H16N4O/c27-21-13-25-22-20(5-2-8-24-22)26(21)14-15-3-1-4-16(9-15)17-6-7-18-11-23-12-19(18)10-17/h1-10,12-13H,11,14H2
InChIKeyVAJZCIFGMZDJDC-UHFFFAOYSA-N
MW352.40 g/mol
LogP3.44
Rot. Bonds3

About 1-[[3-(1H-isoindol-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-2-one

1-[[3-(1H-isoindol-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-2-one (PubChem CID 118940905) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-[[3-(1H-isoindol-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name1-[[3-(1H-isoindol-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-2-one
PubChem CID118940905
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC Name1-[[3-(1H-isoindol-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-2-one
SMILESO=c1cnc2ncccc2n1Cc1cccc(-c2ccc3c(c2)C=NC3)c1
InChIInChI=1S/C22H16N4O/c27-21-13-25-22-20(5-2-8-24-22)26(21)14-15-3-1-4-16(9-15)17-6-7-18-11-23-12-19(18)10-17/h1-10,12-13H,11,14H2
InChIKeyVAJZCIFGMZDJDC-UHFFFAOYSA-N
XLogP3.44
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(1H-isoindol-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 1-[[3-(1H-isoindol-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-2-one (CID 118940905) is 1-[[3-(1H-isoindol-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 1-[[3-(1H-isoindol-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 1-[[3-(1H-isoindol-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-2-one is O=c1cnc2ncccc2n1Cc1cccc(-c2ccc3c(c2)C=NC3)c1.
What is the InChIKey of 1-[[3-(1H-isoindol-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-2-one?
The InChIKey is VAJZCIFGMZDJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c27-21-13-25-22-20(5-2-8-24-22)26(21)14-15-3-1-4-16(9-15)17-6-7-18-11-23-12-19(18)10-17/h1-10,12-13H,11,14H2.
What are the key properties of 1-[[3-(1H-isoindol-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-2-one?
1-[[3-(1H-isoindol-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-2-one has a molecular weight of 352.40 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(1H-isoindol-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 118940905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).