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

C22H22N6O3 — CID 46869166

IUPAC8-(dimethylamino)-4-(1H-indol-4-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESCN(C)c1cc(C(=O)O)nc2c(-c3cccc4[nH]ccc34)nc(N3CCOCC3)nc12
InChIInChI=1S/C22H22N6O3/c1-27(2)17-12-16(21(29)30)24-20-18(14-4-3-5-15-13(14)6-7-23-15)25-22(26-19(17)20)28-8-10-31-11-9-28/h3-7,12,23H,8-11H2,1-2H3,(H,29,30)
InChIKeyKAKAGRFPASRODL-UHFFFAOYSA-N
MW418.46 g/mol
LogP2.77
Rot. Bonds4

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

8-(dimethylamino)-4-(1H-indol-4-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (PubChem CID 46869166) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is 8-(dimethylamino)-4-(1H-indol-4-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name8-(dimethylamino)-4-(1H-indol-4-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
PubChem CID46869166
Molecular FormulaC22H22N6O3
Molecular Weight418.46 g/mol
Exact Mass418.18
IUPAC Name8-(dimethylamino)-4-(1H-indol-4-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESCN(C)c1cc(C(=O)O)nc2c(-c3cccc4[nH]ccc34)nc(N3CCOCC3)nc12
InChIInChI=1S/C22H22N6O3/c1-27(2)17-12-16(21(29)30)24-20-18(14-4-3-5-15-13(14)6-7-23-15)25-22(26-19(17)20)28-8-10-31-11-9-28/h3-7,12,23H,8-11H2,1-2H3,(H,29,30)
InChIKeyKAKAGRFPASRODL-UHFFFAOYSA-N
XLogP2.77
TPSA107.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-4-(1H-indol-4-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 8-(dimethylamino)-4-(1H-indol-4-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (CID 46869166) is 8-(dimethylamino)-4-(1H-indol-4-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 8-(dimethylamino)-4-(1H-indol-4-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 8-(dimethylamino)-4-(1H-indol-4-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is CN(C)c1cc(C(=O)O)nc2c(-c3cccc4[nH]ccc34)nc(N3CCOCC3)nc12.
What is the InChIKey of 8-(dimethylamino)-4-(1H-indol-4-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The InChIKey is KAKAGRFPASRODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3/c1-27(2)17-12-16(21(29)30)24-20-18(14-4-3-5-15-13(14)6-7-23-15)25-22(26-19(17)20)28-8-10-31-11-9-28/h3-7,12,23H,8-11H2,1-2H3,(H,29,30).
What are the key properties of 8-(dimethylamino)-4-(1H-indol-4-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
8-(dimethylamino)-4-(1H-indol-4-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid has a molecular weight of 418.46 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-4-(1H-indol-4-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 46869166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).