4-(1H-indol-4-yl)-8-(2-methoxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid

C23H24N6O4 — CID 46869168

IUPAC4-(1H-indol-4-yl)-8-(2-methoxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESCOCCNc1cc(C(=O)O)nc2c(-c3cccc4[nH]ccc34)nc(N3CCOCC3)nc12
InChIInChI=1S/C23H24N6O4/c1-32-10-7-25-17-13-18(22(30)31)26-21-19(15-3-2-4-16-14(15)5-6-24-16)27-23(28-20(17)21)29-8-11-33-12-9-29/h2-6,13,24H,7-12H2,1H3,(H,25,26)(H,30,31)
InChIKeyXOTLBLKTYAFROA-UHFFFAOYSA-N
MW448.48 g/mol
LogP2.77
Rot. Bonds7

About 4-(1H-indol-4-yl)-8-(2-methoxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid

4-(1H-indol-4-yl)-8-(2-methoxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (PubChem CID 46869168) has the molecular formula C23H24N6O4 and a molecular weight of 448.48 g/mol. Its IUPAC name is 4-(1H-indol-4-yl)-8-(2-methoxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-(1H-indol-4-yl)-8-(2-methoxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
PubChem CID46869168
Molecular FormulaC23H24N6O4
Molecular Weight448.48 g/mol
Exact Mass448.19
IUPAC Name4-(1H-indol-4-yl)-8-(2-methoxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESCOCCNc1cc(C(=O)O)nc2c(-c3cccc4[nH]ccc34)nc(N3CCOCC3)nc12
InChIInChI=1S/C23H24N6O4/c1-32-10-7-25-17-13-18(22(30)31)26-21-19(15-3-2-4-16-14(15)5-6-24-16)27-23(28-20(17)21)29-8-11-33-12-9-29/h2-6,13,24H,7-12H2,1H3,(H,25,26)(H,30,31)
InChIKeyXOTLBLKTYAFROA-UHFFFAOYSA-N
XLogP2.77
TPSA125.49 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(1H-indol-4-yl)-8-(2-methoxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid 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 4-(1H-indol-4-yl)-8-(2-methoxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-(1H-indol-4-yl)-8-(2-methoxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (CID 46869168) is 4-(1H-indol-4-yl)-8-(2-methoxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-(1H-indol-4-yl)-8-(2-methoxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-(1H-indol-4-yl)-8-(2-methoxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is COCCNc1cc(C(=O)O)nc2c(-c3cccc4[nH]ccc34)nc(N3CCOCC3)nc12.
What is the InChIKey of 4-(1H-indol-4-yl)-8-(2-methoxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The InChIKey is XOTLBLKTYAFROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4/c1-32-10-7-25-17-13-18(22(30)31)26-21-19(15-3-2-4-16-14(15)5-6-24-16)27-23(28-20(17)21)29-8-11-33-12-9-29/h2-6,13,24H,7-12H2,1H3,(H,25,26)(H,30,31).
What are the key properties of 4-(1H-indol-4-yl)-8-(2-methoxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
4-(1H-indol-4-yl)-8-(2-methoxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid has a molecular weight of 448.48 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-4-yl)-8-(2-methoxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 46869168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).