6-(3,4-difluorophenyl)-8-[(3-methoxyphenyl)methyl]pteridin-7-one

C20H14F2N4O2 — CID 3233177

IUPAC6-(3,4-difluorophenyl)-8-[(3-methoxyphenyl)methyl]pteridin-7-one
SMILESCOc1cccc(Cn2c(=O)c(-c3ccc(F)c(F)c3)nc3cncnc32)c1
InChIInChI=1S/C20H14F2N4O2/c1-28-14-4-2-3-12(7-14)10-26-19-17(9-23-11-24-19)25-18(20(26)27)13-5-6-15(21)16(22)8-13/h2-9,11H,10H2,1H3
InChIKeyGERVZTFTTCWWIY-UHFFFAOYSA-N
MW380.35 g/mol
LogP3.19
Rot. Bonds4

About 6-(3,4-difluorophenyl)-8-[(3-methoxyphenyl)methyl]pteridin-7-one

6-(3,4-difluorophenyl)-8-[(3-methoxyphenyl)methyl]pteridin-7-one (PubChem CID 3233177) has the molecular formula C20H14F2N4O2 and a molecular weight of 380.35 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-8-[(3-methoxyphenyl)methyl]pteridin-7-one.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-8-[(3-methoxyphenyl)methyl]pteridin-7-one
PubChem CID3233177
Molecular FormulaC20H14F2N4O2
Molecular Weight380.35 g/mol
Exact Mass380.11
IUPAC Name6-(3,4-difluorophenyl)-8-[(3-methoxyphenyl)methyl]pteridin-7-one
SMILESCOc1cccc(Cn2c(=O)c(-c3ccc(F)c(F)c3)nc3cncnc32)c1
InChIInChI=1S/C20H14F2N4O2/c1-28-14-4-2-3-12(7-14)10-26-19-17(9-23-11-24-19)25-18(20(26)27)13-5-6-15(21)16(22)8-13/h2-9,11H,10H2,1H3
InChIKeyGERVZTFTTCWWIY-UHFFFAOYSA-N
XLogP3.19
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-8-[(3-methoxyphenyl)methyl]pteridin-7-one?
The IUPAC name of 6-(3,4-difluorophenyl)-8-[(3-methoxyphenyl)methyl]pteridin-7-one (CID 3233177) is 6-(3,4-difluorophenyl)-8-[(3-methoxyphenyl)methyl]pteridin-7-one.
What is the SMILES notation for 6-(3,4-difluorophenyl)-8-[(3-methoxyphenyl)methyl]pteridin-7-one?
The canonical SMILES for 6-(3,4-difluorophenyl)-8-[(3-methoxyphenyl)methyl]pteridin-7-one is COc1cccc(Cn2c(=O)c(-c3ccc(F)c(F)c3)nc3cncnc32)c1.
What is the InChIKey of 6-(3,4-difluorophenyl)-8-[(3-methoxyphenyl)methyl]pteridin-7-one?
The InChIKey is GERVZTFTTCWWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O2/c1-28-14-4-2-3-12(7-14)10-26-19-17(9-23-11-24-19)25-18(20(26)27)13-5-6-15(21)16(22)8-13/h2-9,11H,10H2,1H3.
What are the key properties of 6-(3,4-difluorophenyl)-8-[(3-methoxyphenyl)methyl]pteridin-7-one?
6-(3,4-difluorophenyl)-8-[(3-methoxyphenyl)methyl]pteridin-7-one has a molecular weight of 380.35 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-8-[(3-methoxyphenyl)methyl]pteridin-7-one is sourced from PubChem (CID 3233177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).