4-(3-fluoro-5-hydroxyphenyl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid

C22H24FN5O5 — CID 46869093

IUPAC4-(3-fluoro-5-hydroxyphenyl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESCOCCN(C)c1cc(C(=O)O)nc2c(-c3cc(O)cc(F)c3)nc(N3CCOCC3)nc12
InChIInChI=1S/C22H24FN5O5/c1-27(3-6-32-2)17-12-16(21(30)31)24-20-18(13-9-14(23)11-15(29)10-13)25-22(26-19(17)20)28-4-7-33-8-5-28/h9-12,29H,3-8H2,1-2H3,(H,30,31)
InChIKeyLSZDFVSXIMFXOZ-UHFFFAOYSA-N
MW457.46 g/mol
LogP2.15
Rot. Bonds7

About 4-(3-fluoro-5-hydroxyphenyl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid

4-(3-fluoro-5-hydroxyphenyl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (PubChem CID 46869093) has the molecular formula C22H24FN5O5 and a molecular weight of 457.46 g/mol. Its IUPAC name is 4-(3-fluoro-5-hydroxyphenyl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluoro-5-hydroxyphenyl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
PubChem CID46869093
Molecular FormulaC22H24FN5O5
Molecular Weight457.46 g/mol
Exact Mass457.18
IUPAC Name4-(3-fluoro-5-hydroxyphenyl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESCOCCN(C)c1cc(C(=O)O)nc2c(-c3cc(O)cc(F)c3)nc(N3CCOCC3)nc12
InChIInChI=1S/C22H24FN5O5/c1-27(3-6-32-2)17-12-16(21(30)31)24-20-18(13-9-14(23)11-15(29)10-13)25-22(26-19(17)20)28-4-7-33-8-5-28/h9-12,29H,3-8H2,1-2H3,(H,30,31)
InChIKeyLSZDFVSXIMFXOZ-UHFFFAOYSA-N
XLogP2.15
TPSA121.14 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-hydroxyphenyl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-(3-fluoro-5-hydroxyphenyl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (CID 46869093) is 4-(3-fluoro-5-hydroxyphenyl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-(3-fluoro-5-hydroxyphenyl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-(3-fluoro-5-hydroxyphenyl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is COCCN(C)c1cc(C(=O)O)nc2c(-c3cc(O)cc(F)c3)nc(N3CCOCC3)nc12.
What is the InChIKey of 4-(3-fluoro-5-hydroxyphenyl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The InChIKey is LSZDFVSXIMFXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O5/c1-27(3-6-32-2)17-12-16(21(30)31)24-20-18(13-9-14(23)11-15(29)10-13)25-22(26-19(17)20)28-4-7-33-8-5-28/h9-12,29H,3-8H2,1-2H3,(H,30,31).
What are the key properties of 4-(3-fluoro-5-hydroxyphenyl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
4-(3-fluoro-5-hydroxyphenyl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid has a molecular weight of 457.46 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-hydroxyphenyl)-8-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 46869093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).