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

C24H18FN3O — CID 159983684

IUPAC4-[[2-fluoro-4-(1-methyl-3H-inden-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-3-one
SMILESCC1=CCc2cc(-c3ccc(Cn4c(=O)cnc5cccnc54)c(F)c3)ccc21
InChIInChI=1S/C24H18FN3O/c1-15-4-5-18-11-16(8-9-20(15)18)17-6-7-19(21(25)12-17)14-28-23(29)13-27-22-3-2-10-26-24(22)28/h2-4,6-13H,5,14H2,1H3
InChIKeyMUHKVRMZHCCGNT-UHFFFAOYSA-N
MW383.43 g/mol
LogP4.61
Rot. Bonds3

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

4-[[2-fluoro-4-(1-methyl-3H-inden-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-3-one (PubChem CID 159983684) has the molecular formula C24H18FN3O and a molecular weight of 383.43 g/mol. Its IUPAC name is 4-[[2-fluoro-4-(1-methyl-3H-inden-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-[[2-fluoro-4-(1-methyl-3H-inden-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-3-one
PubChem CID159983684
Molecular FormulaC24H18FN3O
Molecular Weight383.43 g/mol
Exact Mass383.14
IUPAC Name4-[[2-fluoro-4-(1-methyl-3H-inden-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-3-one
SMILESCC1=CCc2cc(-c3ccc(Cn4c(=O)cnc5cccnc54)c(F)c3)ccc21
InChIInChI=1S/C24H18FN3O/c1-15-4-5-18-11-16(8-9-20(15)18)17-6-7-19(21(25)12-17)14-28-23(29)13-27-22-3-2-10-26-24(22)28/h2-4,6-13H,5,14H2,1H3
InChIKeyMUHKVRMZHCCGNT-UHFFFAOYSA-N
XLogP4.61
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-fluoro-4-(1-methyl-3H-inden-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-[[2-fluoro-4-(1-methyl-3H-inden-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-3-one (CID 159983684) is 4-[[2-fluoro-4-(1-methyl-3H-inden-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-[[2-fluoro-4-(1-methyl-3H-inden-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-[[2-fluoro-4-(1-methyl-3H-inden-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-3-one is CC1=CCc2cc(-c3ccc(Cn4c(=O)cnc5cccnc54)c(F)c3)ccc21.
What is the InChIKey of 4-[[2-fluoro-4-(1-methyl-3H-inden-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-3-one?
The InChIKey is MUHKVRMZHCCGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O/c1-15-4-5-18-11-16(8-9-20(15)18)17-6-7-19(21(25)12-17)14-28-23(29)13-27-22-3-2-10-26-24(22)28/h2-4,6-13H,5,14H2,1H3.
What are the key properties of 4-[[2-fluoro-4-(1-methyl-3H-inden-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-3-one?
4-[[2-fluoro-4-(1-methyl-3H-inden-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-3-one has a molecular weight of 383.43 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-fluoro-4-(1-methyl-3H-inden-5-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 159983684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).