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

C19H17FN4O6S — CID 135934982

IUPAC4-(5-fluoro-2-hydroxyphenyl)-8-methylsulfonyl-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESCS(=O)(=O)c1cc(C(=O)O)nc2c(-c3cc(F)ccc3O)nc(N3CCOCC3)nc12
InChIInChI=1S/C19H17FN4O6S/c1-31(28,29)14-9-12(18(26)27)21-17-15(11-8-10(20)2-3-13(11)25)22-19(23-16(14)17)24-4-6-30-7-5-24/h2-3,8-9,25H,4-7H2,1H3,(H,26,27)
InChIKeyGGINTTJZPMKTKW-UHFFFAOYSA-N
MW448.43 g/mol
LogP1.47
Rot. Bonds4

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

4-(5-fluoro-2-hydroxyphenyl)-8-methylsulfonyl-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (PubChem CID 135934982) has the molecular formula C19H17FN4O6S and a molecular weight of 448.43 g/mol. Its IUPAC name is 4-(5-fluoro-2-hydroxyphenyl)-8-methylsulfonyl-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-(5-fluoro-2-hydroxyphenyl)-8-methylsulfonyl-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
PubChem CID135934982
Molecular FormulaC19H17FN4O6S
Molecular Weight448.43 g/mol
Exact Mass448.09
IUPAC Name4-(5-fluoro-2-hydroxyphenyl)-8-methylsulfonyl-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid
SMILESCS(=O)(=O)c1cc(C(=O)O)nc2c(-c3cc(F)ccc3O)nc(N3CCOCC3)nc12
InChIInChI=1S/C19H17FN4O6S/c1-31(28,29)14-9-12(18(26)27)21-17-15(11-8-10(20)2-3-13(11)25)22-19(23-16(14)17)24-4-6-30-7-5-24/h2-3,8-9,25H,4-7H2,1H3,(H,26,27)
InChIKeyGGINTTJZPMKTKW-UHFFFAOYSA-N
XLogP1.47
TPSA142.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.43
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-hydroxyphenyl)-8-methylsulfonyl-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 4-(5-fluoro-2-hydroxyphenyl)-8-methylsulfonyl-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid (CID 135934982) is 4-(5-fluoro-2-hydroxyphenyl)-8-methylsulfonyl-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-(5-fluoro-2-hydroxyphenyl)-8-methylsulfonyl-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-(5-fluoro-2-hydroxyphenyl)-8-methylsulfonyl-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is CS(=O)(=O)c1cc(C(=O)O)nc2c(-c3cc(F)ccc3O)nc(N3CCOCC3)nc12.
What is the InChIKey of 4-(5-fluoro-2-hydroxyphenyl)-8-methylsulfonyl-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
The InChIKey is GGINTTJZPMKTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O6S/c1-31(28,29)14-9-12(18(26)27)21-17-15(11-8-10(20)2-3-13(11)25)22-19(23-16(14)17)24-4-6-30-7-5-24/h2-3,8-9,25H,4-7H2,1H3,(H,26,27).
What are the key properties of 4-(5-fluoro-2-hydroxyphenyl)-8-methylsulfonyl-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid?
4-(5-fluoro-2-hydroxyphenyl)-8-methylsulfonyl-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid has a molecular weight of 448.43 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-hydroxyphenyl)-8-methylsulfonyl-2-morpholin-4-ylpyrido[3,2-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 135934982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).