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

C23H24N6O4 — CID 46869169

IUPAC8-[2-hydroxyethyl(methyl)amino]-4-(1H-indol-4-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESCN(CCO)c1cc(C(=O)O)nc2c(-c3cccc4[nH]ccc34)nc(N3CCOCC3)nc12
InChIInChI=1S/C23H24N6O4/c1-28(7-10-30)18-13-17(22(31)32)25-21-19(15-3-2-4-16-14(15)5-6-24-16)26-23(27-20(18)21)29-8-11-33-12-9-29/h2-6,13,24,30H,7-12H2,1H3,(H,31,32)
InChIKeyRZVVAZPMZVFDBJ-UHFFFAOYSA-N
MW448.48 g/mol
LogP2.14
Rot. Bonds6

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

8-[2-hydroxyethyl(methyl)amino]-4-(1H-indol-4-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (PubChem CID 46869169) has the molecular formula C23H24N6O4 and a molecular weight of 448.48 g/mol. Its IUPAC name is 8-[2-hydroxyethyl(methyl)amino]-4-(1H-indol-4-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name8-[2-hydroxyethyl(methyl)amino]-4-(1H-indol-4-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
PubChem CID46869169
Molecular FormulaC23H24N6O4
Molecular Weight448.48 g/mol
Exact Mass448.19
IUPAC Name8-[2-hydroxyethyl(methyl)amino]-4-(1H-indol-4-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESCN(CCO)c1cc(C(=O)O)nc2c(-c3cccc4[nH]ccc34)nc(N3CCOCC3)nc12
InChIInChI=1S/C23H24N6O4/c1-28(7-10-30)18-13-17(22(31)32)25-21-19(15-3-2-4-16-14(15)5-6-24-16)26-23(27-20(18)21)29-8-11-33-12-9-29/h2-6,13,24,30H,7-12H2,1H3,(H,31,32)
InChIKeyRZVVAZPMZVFDBJ-UHFFFAOYSA-N
XLogP2.14
TPSA127.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[2-hydroxyethyl(methyl)amino]-4-(1H-indol-4-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 8-[2-hydroxyethyl(methyl)amino]-4-(1H-indol-4-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (CID 46869169) is 8-[2-hydroxyethyl(methyl)amino]-4-(1H-indol-4-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 8-[2-hydroxyethyl(methyl)amino]-4-(1H-indol-4-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 8-[2-hydroxyethyl(methyl)amino]-4-(1H-indol-4-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is CN(CCO)c1cc(C(=O)O)nc2c(-c3cccc4[nH]ccc34)nc(N3CCOCC3)nc12.
What is the InChIKey of 8-[2-hydroxyethyl(methyl)amino]-4-(1H-indol-4-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The InChIKey is RZVVAZPMZVFDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4/c1-28(7-10-30)18-13-17(22(31)32)25-21-19(15-3-2-4-16-14(15)5-6-24-16)26-23(27-20(18)21)29-8-11-33-12-9-29/h2-6,13,24,30H,7-12H2,1H3,(H,31,32).
What are the key properties of 8-[2-hydroxyethyl(methyl)amino]-4-(1H-indol-4-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
8-[2-hydroxyethyl(methyl)amino]-4-(1H-indol-4-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid has a molecular weight of 448.48 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-hydroxyethyl(methyl)amino]-4-(1H-indol-4-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 46869169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).