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

C23H24N6O4 — CID 154469098

IUPAC8-[2-hydroxyethyl(methyl)amino]-4-(1H-indol-5-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESCN(CCO)c1cc(C(=O)O)nc2c(-c3ccc4[nH]ccc4c3)nc(N3CCOCC3)nc12
InChIInChI=1S/C23H24N6O4/c1-28(6-9-30)18-13-17(22(31)32)25-21-19(15-2-3-16-14(12-15)4-5-24-16)26-23(27-20(18)21)29-7-10-33-11-8-29/h2-5,12-13,24,30H,6-11H2,1H3,(H,31,32)
InChIKeyNJXRCEYVOCVTRE-UHFFFAOYSA-N
MW448.48 g/mol
LogP2.14
Rot. Bonds6

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

8-[2-hydroxyethyl(methyl)amino]-4-(1H-indol-5-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (PubChem CID 154469098) 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-5-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name8-[2-hydroxyethyl(methyl)amino]-4-(1H-indol-5-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
PubChem CID154469098
Molecular FormulaC23H24N6O4
Molecular Weight448.48 g/mol
Exact Mass448.19
IUPAC Name8-[2-hydroxyethyl(methyl)amino]-4-(1H-indol-5-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESCN(CCO)c1cc(C(=O)O)nc2c(-c3ccc4[nH]ccc4c3)nc(N3CCOCC3)nc12
InChIInChI=1S/C23H24N6O4/c1-28(6-9-30)18-13-17(22(31)32)25-21-19(15-2-3-16-14(12-15)4-5-24-16)26-23(27-20(18)21)29-7-10-33-11-8-29/h2-5,12-13,24,30H,6-11H2,1H3,(H,31,32)
InChIKeyNJXRCEYVOCVTRE-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

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

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Related Compounds

3-[4-(4-Methylpiperazin-1-Yl)phenyl]-9h-Pyrrolo[2,3-B:5,4-C']dipyridine-6-Carboxylic Acid
CID 58266559
methyl 3-[[9-(4,6-dimethylpyrimidin-2-yl)-1-oxo-2,9-diazaspiro[5.5]undecan-2-yl]methyl]-1H-indole-5-carboxylate
CID 56970421
4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-yl}-5H-pyrimido[5,4-b]indole-8-carboxylic acid methyl ester
CID 11247947
Ethyl 2-(cyclohexylamino)-5,6-dihydropyrimido[5,4-g]indolizine-8-carboxylate
CID 151934246
4-(5-chloropyridin-3-yl)-3-[(trans-4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 76285806
5-Imidazol-1-ylmethyl-1H-indole-2-carboxylic acid
CID 13663031
3-[2-[(1R,3R)-1-(oxan-4-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]-1H-imidazol-5-yl]benzoic acid
CID 127029889
US8785489, ethyl 5-{4-methyl-2-[(pyridin-4-ylmethyl)carbamoyl]-1H-imidazol-5-yl}-1H-indole-2-carboxylate
CID 45377002
4-[3-(Hydroxymethyl)phenyl]-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
CID 46850921
8-(dimethylamino)-4-(1H-indol-4-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
CID 46869166
4-(1H-indol-4-yl)-8-(methylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
CID 46869167
4-(1H-indol-4-yl)-8-(2-methoxyethylamino)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
CID 46869168

Frequently Asked Questions

What is the IUPAC name of 8-[2-hydroxyethyl(methyl)amino]-4-(1H-indol-5-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 8-[2-hydroxyethyl(methyl)amino]-4-(1H-indol-5-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (CID 154469098) is 8-[2-hydroxyethyl(methyl)amino]-4-(1H-indol-5-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-5-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 8-[2-hydroxyethyl(methyl)amino]-4-(1H-indol-5-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is CN(CCO)c1cc(C(=O)O)nc2c(-c3ccc4[nH]ccc4c3)nc(N3CCOCC3)nc12.
What is the InChIKey of 8-[2-hydroxyethyl(methyl)amino]-4-(1H-indol-5-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The InChIKey is NJXRCEYVOCVTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4/c1-28(6-9-30)18-13-17(22(31)32)25-21-19(15-2-3-16-14(12-15)4-5-24-16)26-23(27-20(18)21)29-7-10-33-11-8-29/h2-5,12-13,24,30H,6-11H2,1H3,(H,31,32).
What are the key properties of 8-[2-hydroxyethyl(methyl)amino]-4-(1H-indol-5-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
8-[2-hydroxyethyl(methyl)amino]-4-(1H-indol-5-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-5-yl)-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 154469098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).