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

C22H17N5O2 — CID 3233046

IUPAC2-methoxy-6-(1-methylindol-3-yl)-8-phenylpteridin-7-one
SMILESCOc1ncc2nc(-c3cn(C)c4ccccc34)c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C22H17N5O2/c1-26-13-16(15-10-6-7-11-18(15)26)19-21(28)27(14-8-4-3-5-9-14)20-17(24-19)12-23-22(25-20)29-2/h3-13H,1-2H3
InChIKeyCNHQHOMOIDSCRV-UHFFFAOYSA-N
MW383.41 g/mol
LogP3.34
Rot. Bonds3

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

2-methoxy-6-(1-methylindol-3-yl)-8-phenylpteridin-7-one (PubChem CID 3233046) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-methoxy-6-(1-methylindol-3-yl)-8-phenylpteridin-7-one.

Molecular Properties

Compound Name2-methoxy-6-(1-methylindol-3-yl)-8-phenylpteridin-7-one
PubChem CID3233046
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC Name2-methoxy-6-(1-methylindol-3-yl)-8-phenylpteridin-7-one
SMILESCOc1ncc2nc(-c3cn(C)c4ccccc34)c(=O)n(-c3ccccc3)c2n1
InChIInChI=1S/C22H17N5O2/c1-26-13-16(15-10-6-7-11-18(15)26)19-21(28)27(14-8-4-3-5-9-14)20-17(24-19)12-23-22(25-20)29-2/h3-13H,1-2H3
InChIKeyCNHQHOMOIDSCRV-UHFFFAOYSA-N
XLogP3.34
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.34
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-phenylpteridin-7-one?
The IUPAC name of 2-methoxy-6-(1-methylindol-3-yl)-8-phenylpteridin-7-one (CID 3233046) is 2-methoxy-6-(1-methylindol-3-yl)-8-phenylpteridin-7-one.
What is the SMILES notation for 2-methoxy-6-(1-methylindol-3-yl)-8-phenylpteridin-7-one?
The canonical SMILES for 2-methoxy-6-(1-methylindol-3-yl)-8-phenylpteridin-7-one is COc1ncc2nc(-c3cn(C)c4ccccc34)c(=O)n(-c3ccccc3)c2n1.
What is the InChIKey of 2-methoxy-6-(1-methylindol-3-yl)-8-phenylpteridin-7-one?
The InChIKey is CNHQHOMOIDSCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2/c1-26-13-16(15-10-6-7-11-18(15)26)19-21(28)27(14-8-4-3-5-9-14)20-17(24-19)12-23-22(25-20)29-2/h3-13H,1-2H3.
What are the key properties of 2-methoxy-6-(1-methylindol-3-yl)-8-phenylpteridin-7-one?
2-methoxy-6-(1-methylindol-3-yl)-8-phenylpteridin-7-one has a molecular weight of 383.41 g/mol, XLogP of 3.34, 3 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-phenylpteridin-7-one is sourced from PubChem (CID 3233046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).