1-[[2-fluoro-4-(1H-inden-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-2-one

C23H16FN3O — CID 118940895

IUPAC1-[[2-fluoro-4-(1H-inden-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-2-one
SMILESO=c1cnc2ncccc2n1Cc1ccc(-c2ccc3c(c2)C=CC3)cc1F
InChIInChI=1S/C23H16FN3O/c24-20-12-18(17-7-6-15-3-1-4-16(15)11-17)8-9-19(20)14-27-21-5-2-10-25-23(21)26-13-22(27)28/h1-2,4-13H,3,14H2
InChIKeySILBBQADJZPJRJ-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.22
Rot. Bonds3

About 1-[[2-fluoro-4-(1H-inden-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-2-one

1-[[2-fluoro-4-(1H-inden-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-2-one (PubChem CID 118940895) has the molecular formula C23H16FN3O and a molecular weight of 369.40 g/mol. Its IUPAC name is 1-[[2-fluoro-4-(1H-inden-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name1-[[2-fluoro-4-(1H-inden-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-2-one
PubChem CID118940895
Molecular FormulaC23H16FN3O
Molecular Weight369.40 g/mol
Exact Mass369.13
IUPAC Name1-[[2-fluoro-4-(1H-inden-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-2-one
SMILESO=c1cnc2ncccc2n1Cc1ccc(-c2ccc3c(c2)C=CC3)cc1F
InChIInChI=1S/C23H16FN3O/c24-20-12-18(17-7-6-15-3-1-4-16(15)11-17)8-9-19(20)14-27-21-5-2-10-25-23(21)26-13-22(27)28/h1-2,4-13H,3,14H2
InChIKeySILBBQADJZPJRJ-UHFFFAOYSA-N
XLogP4.22
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-fluoro-4-(1H-inden-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 1-[[2-fluoro-4-(1H-inden-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-2-one (CID 118940895) is 1-[[2-fluoro-4-(1H-inden-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 1-[[2-fluoro-4-(1H-inden-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 1-[[2-fluoro-4-(1H-inden-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-2-one is O=c1cnc2ncccc2n1Cc1ccc(-c2ccc3c(c2)C=CC3)cc1F.
What is the InChIKey of 1-[[2-fluoro-4-(1H-inden-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-2-one?
The InChIKey is SILBBQADJZPJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O/c24-20-12-18(17-7-6-15-3-1-4-16(15)11-17)8-9-19(20)14-27-21-5-2-10-25-23(21)26-13-22(27)28/h1-2,4-13H,3,14H2.
What are the key properties of 1-[[2-fluoro-4-(1H-inden-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-2-one?
1-[[2-fluoro-4-(1H-inden-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-2-one has a molecular weight of 369.40 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-fluoro-4-(1H-inden-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 118940895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).