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

C25H24N6O2 — CID 3232870

IUPAC2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one
SMILESCCNc1ncc2nc(-c3cn(C)c4ccccc34)c(=O)n(Cc3cccc(OC)c3)c2n1
InChIInChI=1S/C25H24N6O2/c1-4-26-25-27-13-20-23(29-25)31(14-16-8-7-9-17(12-16)33-3)24(32)22(28-20)19-15-30(2)21-11-6-5-10-18(19)21/h5-13,15H,4,14H2,1-3H3,(H,26,27,29)
InChIKeyHCYKSGWPEWZZJA-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.83
Rot. Bonds6

About 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one

2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one (PubChem CID 3232870) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one.

Molecular Properties

Compound Name2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one
PubChem CID3232870
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one
SMILESCCNc1ncc2nc(-c3cn(C)c4ccccc34)c(=O)n(Cc3cccc(OC)c3)c2n1
InChIInChI=1S/C25H24N6O2/c1-4-26-25-27-13-20-23(29-25)31(14-16-8-7-9-17(12-16)33-3)24(32)22(28-20)19-15-30(2)21-11-6-5-10-18(19)21/h5-13,15H,4,14H2,1-3H3,(H,26,27,29)
InChIKeyHCYKSGWPEWZZJA-UHFFFAOYSA-N
XLogP3.83
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one?
The IUPAC name of 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one (CID 3232870) is 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one.
What is the SMILES notation for 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one?
The canonical SMILES for 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one is CCNc1ncc2nc(-c3cn(C)c4ccccc34)c(=O)n(Cc3cccc(OC)c3)c2n1.
What is the InChIKey of 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one?
The InChIKey is HCYKSGWPEWZZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-4-26-25-27-13-20-23(29-25)31(14-16-8-7-9-17(12-16)33-3)24(32)22(28-20)19-15-30(2)21-11-6-5-10-18(19)21/h5-13,15H,4,14H2,1-3H3,(H,26,27,29).
What are the key properties of 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one?
2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one has a molecular weight of 440.51 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-8-[(3-methoxyphenyl)methyl]-6-(1-methylindol-3-yl)pteridin-7-one is sourced from PubChem (CID 3232870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).