2-methoxy-6-(1-methylindol-3-yl)-8-(2-phenylethyl)pteridin-7-one

C24H21N5O2 — CID 3233800

IUPAC2-methoxy-6-(1-methylindol-3-yl)-8-(2-phenylethyl)pteridin-7-one
SMILESCOc1ncc2nc(-c3cn(C)c4ccccc34)c(=O)n(CCc3ccccc3)c2n1
InChIInChI=1S/C24H21N5O2/c1-28-15-18(17-10-6-7-11-20(17)28)21-23(30)29(13-12-16-8-4-3-5-9-16)22-19(26-21)14-25-24(27-22)31-2/h3-11,14-15H,12-13H2,1-2H3
InChIKeyQPLPFSZWBJAVGW-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.60
Rot. Bonds5

About 2-methoxy-6-(1-methylindol-3-yl)-8-(2-phenylethyl)pteridin-7-one

2-methoxy-6-(1-methylindol-3-yl)-8-(2-phenylethyl)pteridin-7-one (PubChem CID 3233800) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 2-methoxy-6-(1-methylindol-3-yl)-8-(2-phenylethyl)pteridin-7-one.

Molecular Properties

Compound Name2-methoxy-6-(1-methylindol-3-yl)-8-(2-phenylethyl)pteridin-7-one
PubChem CID3233800
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name2-methoxy-6-(1-methylindol-3-yl)-8-(2-phenylethyl)pteridin-7-one
SMILESCOc1ncc2nc(-c3cn(C)c4ccccc34)c(=O)n(CCc3ccccc3)c2n1
InChIInChI=1S/C24H21N5O2/c1-28-15-18(17-10-6-7-11-20(17)28)21-23(30)29(13-12-16-8-4-3-5-9-16)22-19(26-21)14-25-24(27-22)31-2/h3-11,14-15H,12-13H2,1-2H3
InChIKeyQPLPFSZWBJAVGW-UHFFFAOYSA-N
XLogP3.60
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(1-methylindol-3-yl)-8-(2-phenylethyl)pteridin-7-one?
The IUPAC name of 2-methoxy-6-(1-methylindol-3-yl)-8-(2-phenylethyl)pteridin-7-one (CID 3233800) is 2-methoxy-6-(1-methylindol-3-yl)-8-(2-phenylethyl)pteridin-7-one.
What is the SMILES notation for 2-methoxy-6-(1-methylindol-3-yl)-8-(2-phenylethyl)pteridin-7-one?
The canonical SMILES for 2-methoxy-6-(1-methylindol-3-yl)-8-(2-phenylethyl)pteridin-7-one is COc1ncc2nc(-c3cn(C)c4ccccc34)c(=O)n(CCc3ccccc3)c2n1.
What is the InChIKey of 2-methoxy-6-(1-methylindol-3-yl)-8-(2-phenylethyl)pteridin-7-one?
The InChIKey is QPLPFSZWBJAVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-28-15-18(17-10-6-7-11-20(17)28)21-23(30)29(13-12-16-8-4-3-5-9-16)22-19(26-21)14-25-24(27-22)31-2/h3-11,14-15H,12-13H2,1-2H3.
What are the key properties of 2-methoxy-6-(1-methylindol-3-yl)-8-(2-phenylethyl)pteridin-7-one?
2-methoxy-6-(1-methylindol-3-yl)-8-(2-phenylethyl)pteridin-7-one has a molecular weight of 411.47 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(1-methylindol-3-yl)-8-(2-phenylethyl)pteridin-7-one is sourced from PubChem (CID 3233800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).