4-(1H-indol-5-yl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid

C24H26N6O4 — CID 46869241

IUPAC4-(1H-indol-5-yl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESCOCCN(C)c1cc(C(=O)O)nc2c(-c3ccc4[nH]ccc4c3)nc(N3CCOCC3)nc12
InChIInChI=1S/C24H26N6O4/c1-29(7-10-33-2)19-14-18(23(31)32)26-22-20(16-3-4-17-15(13-16)5-6-25-17)27-24(28-21(19)22)30-8-11-34-12-9-30/h3-6,13-14,25H,7-12H2,1-2H3,(H,31,32)
InChIKeyVYVAGJQEUXPINV-UHFFFAOYSA-N
MW462.51 g/mol
LogP2.79
Rot. Bonds7

About 4-(1H-indol-5-yl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid

4-(1H-indol-5-yl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (PubChem CID 46869241) has the molecular formula C24H26N6O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is 4-(1H-indol-5-yl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-(1H-indol-5-yl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
PubChem CID46869241
Molecular FormulaC24H26N6O4
Molecular Weight462.51 g/mol
Exact Mass462.20
IUPAC Name4-(1H-indol-5-yl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESCOCCN(C)c1cc(C(=O)O)nc2c(-c3ccc4[nH]ccc4c3)nc(N3CCOCC3)nc12
InChIInChI=1S/C24H26N6O4/c1-29(7-10-33-2)19-14-18(23(31)32)26-22-20(16-3-4-17-15(13-16)5-6-25-17)27-24(28-21(19)22)30-8-11-34-12-9-30/h3-6,13-14,25H,7-12H2,1-2H3,(H,31,32)
InChIKeyVYVAGJQEUXPINV-UHFFFAOYSA-N
XLogP2.79
TPSA116.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-5-yl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-(1H-indol-5-yl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (CID 46869241) is 4-(1H-indol-5-yl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-(1H-indol-5-yl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-(1H-indol-5-yl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is COCCN(C)c1cc(C(=O)O)nc2c(-c3ccc4[nH]ccc4c3)nc(N3CCOCC3)nc12.
What is the InChIKey of 4-(1H-indol-5-yl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The InChIKey is VYVAGJQEUXPINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4/c1-29(7-10-33-2)19-14-18(23(31)32)26-22-20(16-3-4-17-15(13-16)5-6-25-17)27-24(28-21(19)22)30-8-11-34-12-9-30/h3-6,13-14,25H,7-12H2,1-2H3,(H,31,32).
What are the key properties of 4-(1H-indol-5-yl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
4-(1H-indol-5-yl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid has a molecular weight of 462.51 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-5-yl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 46869241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).