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

C21H20N6O3 — CID 46869167

IUPAC4-(1H-indol-4-yl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESCNc1cc(C(=O)O)nc2c(-c3cccc4[nH]ccc34)nc(N3CCOCC3)nc12
InChIInChI=1S/C21H20N6O3/c1-22-15-11-16(20(28)29)24-19-17(13-3-2-4-14-12(13)5-6-23-14)25-21(26-18(15)19)27-7-9-30-10-8-27/h2-6,11,23H,7-10H2,1H3,(H,22,24)(H,28,29)
InChIKeyGGJJRJXESWPOGH-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.75
Rot. Bonds4

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

4-(1H-indol-4-yl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (PubChem CID 46869167) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is 4-(1H-indol-4-yl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-(1H-indol-4-yl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
PubChem CID46869167
Molecular FormulaC21H20N6O3
Molecular Weight404.43 g/mol
Exact Mass404.16
IUPAC Name4-(1H-indol-4-yl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESCNc1cc(C(=O)O)nc2c(-c3cccc4[nH]ccc34)nc(N3CCOCC3)nc12
InChIInChI=1S/C21H20N6O3/c1-22-15-11-16(20(28)29)24-19-17(13-3-2-4-14-12(13)5-6-23-14)25-21(26-18(15)19)27-7-9-30-10-8-27/h2-6,11,23H,7-10H2,1H3,(H,22,24)(H,28,29)
InChIKeyGGJJRJXESWPOGH-UHFFFAOYSA-N
XLogP2.75
TPSA116.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-4-yl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-(1H-indol-4-yl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (CID 46869167) is 4-(1H-indol-4-yl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-(1H-indol-4-yl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-(1H-indol-4-yl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is CNc1cc(C(=O)O)nc2c(-c3cccc4[nH]ccc34)nc(N3CCOCC3)nc12.
What is the InChIKey of 4-(1H-indol-4-yl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The InChIKey is GGJJRJXESWPOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c1-22-15-11-16(20(28)29)24-19-17(13-3-2-4-14-12(13)5-6-23-14)25-21(26-18(15)19)27-7-9-30-10-8-27/h2-6,11,23H,7-10H2,1H3,(H,22,24)(H,28,29).
What are the key properties of 4-(1H-indol-4-yl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
4-(1H-indol-4-yl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid has a molecular weight of 404.43 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-4-yl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 46869167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).