8-[(3-methoxyphenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one

C23H19N5O2 — CID 3234687

IUPAC8-[(3-methoxyphenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one
SMILESCOc1cccc(Cn2c(=O)c(-c3cn(C)c4ccccc34)nc3cncnc32)c1
InChIInChI=1S/C23H19N5O2/c1-27-13-18(17-8-3-4-9-20(17)27)21-23(29)28(22-19(26-21)11-24-14-25-22)12-15-6-5-7-16(10-15)30-2/h3-11,13-14H,12H2,1-2H3
InChIKeyQZFMWXZLXZDIRY-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.40
Rot. Bonds4

About 8-[(3-methoxyphenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one

8-[(3-methoxyphenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one (PubChem CID 3234687) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 8-[(3-methoxyphenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one.

Molecular Properties

Compound Name8-[(3-methoxyphenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one
PubChem CID3234687
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name8-[(3-methoxyphenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one
SMILESCOc1cccc(Cn2c(=O)c(-c3cn(C)c4ccccc34)nc3cncnc32)c1
InChIInChI=1S/C23H19N5O2/c1-27-13-18(17-8-3-4-9-20(17)27)21-23(29)28(22-19(26-21)11-24-14-25-22)12-15-6-5-7-16(10-15)30-2/h3-11,13-14H,12H2,1-2H3
InChIKeyQZFMWXZLXZDIRY-UHFFFAOYSA-N
XLogP3.40
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-methoxyphenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one?
The IUPAC name of 8-[(3-methoxyphenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one (CID 3234687) is 8-[(3-methoxyphenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one.
What is the SMILES notation for 8-[(3-methoxyphenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one?
The canonical SMILES for 8-[(3-methoxyphenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one is COc1cccc(Cn2c(=O)c(-c3cn(C)c4ccccc34)nc3cncnc32)c1.
What is the InChIKey of 8-[(3-methoxyphenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one?
The InChIKey is QZFMWXZLXZDIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-27-13-18(17-8-3-4-9-20(17)27)21-23(29)28(22-19(26-21)11-24-14-25-22)12-15-6-5-7-16(10-15)30-2/h3-11,13-14H,12H2,1-2H3.
What are the key properties of 8-[(3-methoxyphenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one?
8-[(3-methoxyphenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one has a molecular weight of 397.44 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-methoxyphenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one is sourced from PubChem (CID 3234687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).