3-[2-(ethylamino)-6-(1-methylindol-3-yl)-7-oxopteridin-8-yl]propanenitrile

C20H19N7O — CID 3235421

IUPAC3-[2-(ethylamino)-6-(1-methylindol-3-yl)-7-oxopteridin-8-yl]propanenitrile
SMILESCCNc1ncc2nc(-c3cn(C)c4ccccc34)c(=O)n(CCC#N)c2n1
InChIInChI=1S/C20H19N7O/c1-3-22-20-23-11-15-18(25-20)27(10-6-9-21)19(28)17(24-15)14-12-26(2)16-8-5-4-7-13(14)16/h4-5,7-8,11-12H,3,6,10H2,1-2H3,(H,22,23,25)
InChIKeyHUUHVCNDLTUQJI-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.69
Rot. Bonds5

About 3-[2-(ethylamino)-6-(1-methylindol-3-yl)-7-oxopteridin-8-yl]propanenitrile

3-[2-(ethylamino)-6-(1-methylindol-3-yl)-7-oxopteridin-8-yl]propanenitrile (PubChem CID 3235421) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 3-[2-(ethylamino)-6-(1-methylindol-3-yl)-7-oxopteridin-8-yl]propanenitrile.

Molecular Properties

Compound Name3-[2-(ethylamino)-6-(1-methylindol-3-yl)-7-oxopteridin-8-yl]propanenitrile
PubChem CID3235421
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name3-[2-(ethylamino)-6-(1-methylindol-3-yl)-7-oxopteridin-8-yl]propanenitrile
SMILESCCNc1ncc2nc(-c3cn(C)c4ccccc34)c(=O)n(CCC#N)c2n1
InChIInChI=1S/C20H19N7O/c1-3-22-20-23-11-15-18(25-20)27(10-6-9-21)19(28)17(24-15)14-12-26(2)16-8-5-4-7-13(14)16/h4-5,7-8,11-12H,3,6,10H2,1-2H3,(H,22,23,25)
InChIKeyHUUHVCNDLTUQJI-UHFFFAOYSA-N
XLogP2.69
TPSA101.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[2-(ethylamino)-6-(1-methylindol-3-yl)-7-oxopteridin-8-yl]propanenitrile 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 3-[2-(ethylamino)-6-(1-methylindol-3-yl)-7-oxopteridin-8-yl]propanenitrile?
The IUPAC name of 3-[2-(ethylamino)-6-(1-methylindol-3-yl)-7-oxopteridin-8-yl]propanenitrile (CID 3235421) is 3-[2-(ethylamino)-6-(1-methylindol-3-yl)-7-oxopteridin-8-yl]propanenitrile.
What is the SMILES notation for 3-[2-(ethylamino)-6-(1-methylindol-3-yl)-7-oxopteridin-8-yl]propanenitrile?
The canonical SMILES for 3-[2-(ethylamino)-6-(1-methylindol-3-yl)-7-oxopteridin-8-yl]propanenitrile is CCNc1ncc2nc(-c3cn(C)c4ccccc34)c(=O)n(CCC#N)c2n1.
What is the InChIKey of 3-[2-(ethylamino)-6-(1-methylindol-3-yl)-7-oxopteridin-8-yl]propanenitrile?
The InChIKey is HUUHVCNDLTUQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c1-3-22-20-23-11-15-18(25-20)27(10-6-9-21)19(28)17(24-15)14-12-26(2)16-8-5-4-7-13(14)16/h4-5,7-8,11-12H,3,6,10H2,1-2H3,(H,22,23,25).
What are the key properties of 3-[2-(ethylamino)-6-(1-methylindol-3-yl)-7-oxopteridin-8-yl]propanenitrile?
3-[2-(ethylamino)-6-(1-methylindol-3-yl)-7-oxopteridin-8-yl]propanenitrile has a molecular weight of 373.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)-6-(1-methylindol-3-yl)-7-oxopteridin-8-yl]propanenitrile is sourced from PubChem (CID 3235421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).