ethyl 2-ethylsulfanyl-5-(4-hydroxyphenyl)-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate

C24H23N3O4S — CID 135698030

IUPACethyl 2-ethylsulfanyl-5-(4-hydroxyphenyl)-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)Nc2nc(SCC)[nH]c(=O)c2C1c1ccc(O)cc1
InChIInChI=1S/C24H23N3O4S/c1-3-31-23(30)18-17(14-10-12-16(28)13-11-14)19-21(26-24(32-4-2)27-22(19)29)25-20(18)15-8-6-5-7-9-15/h5-13,17,28H,3-4H2,1-2H3,(H2,25,26,27,29)
InChIKeyMUDRRUIBCWBOKB-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.12
Rot. Bonds6

About ethyl 2-ethylsulfanyl-5-(4-hydroxyphenyl)-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate

ethyl 2-ethylsulfanyl-5-(4-hydroxyphenyl)-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 135698030) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is ethyl 2-ethylsulfanyl-5-(4-hydroxyphenyl)-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethylsulfanyl-5-(4-hydroxyphenyl)-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID135698030
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Nameethyl 2-ethylsulfanyl-5-(4-hydroxyphenyl)-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)Nc2nc(SCC)[nH]c(=O)c2C1c1ccc(O)cc1
InChIInChI=1S/C24H23N3O4S/c1-3-31-23(30)18-17(14-10-12-16(28)13-11-14)19-21(26-24(32-4-2)27-22(19)29)25-20(18)15-8-6-5-7-9-15/h5-13,17,28H,3-4H2,1-2H3,(H2,25,26,27,29)
InChIKeyMUDRRUIBCWBOKB-UHFFFAOYSA-N
XLogP4.12
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze ethyl 2-ethylsulfanyl-5-(4-hydroxyphenyl)-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate with MolForge

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Related Compounds

ethyl 2-ethylsulfanyl-4-oxo-7-phenyl-5-(4-propan-2-ylphenyl)-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 135518902
ethyl 2-benzylsulfanyl-5-(4-fluorophenyl)-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 135533377
ethyl 2-[(2-fluorophenyl)methylsulfanyl]-4-oxo-5,7-diphenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 135522575
ethyl 2-ethylsulfanyl-7-methyl-5-(4-methylphenyl)-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 135510840
ethyl 2-[(2-fluorophenyl)methylsulfanyl]-4-oxo-7-phenyl-5-pyridin-4-yl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 135850025
ethyl 2-[(2-chlorophenyl)methylsulfanyl]-5-(4-nitrophenyl)-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 135538211
ethyl (5R)-2-ethylsulfanyl-5-(4-fluorophenyl)-7-methyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 136829617
ethyl 5-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 135610415
ethyl (5R)-5-(4-chlorophenyl)-2-ethylsulfanyl-7-methyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 136829616
ethyl 2-ethylsulfanyl-5-(4-methoxyphenyl)-7-methyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 135468720
methyl 2-ethylsulfanyl-7-methyl-4-oxo-5-(4-phenoxyphenyl)-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 135823222
ethyl 2-[(2-fluorophenyl)methylsulfanyl]-5-(3-methoxyphenyl)-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 135470150

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethylsulfanyl-5-(4-hydroxyphenyl)-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 2-ethylsulfanyl-5-(4-hydroxyphenyl)-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate (CID 135698030) is ethyl 2-ethylsulfanyl-5-(4-hydroxyphenyl)-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 2-ethylsulfanyl-5-(4-hydroxyphenyl)-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 2-ethylsulfanyl-5-(4-hydroxyphenyl)-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)C1=C(c2ccccc2)Nc2nc(SCC)[nH]c(=O)c2C1c1ccc(O)cc1.
What is the InChIKey of ethyl 2-ethylsulfanyl-5-(4-hydroxyphenyl)-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is MUDRRUIBCWBOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-3-31-23(30)18-17(14-10-12-16(28)13-11-14)19-21(26-24(32-4-2)27-22(19)29)25-20(18)15-8-6-5-7-9-15/h5-13,17,28H,3-4H2,1-2H3,(H2,25,26,27,29).
What are the key properties of ethyl 2-ethylsulfanyl-5-(4-hydroxyphenyl)-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate?
ethyl 2-ethylsulfanyl-5-(4-hydroxyphenyl)-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 449.53 g/mol, XLogP of 4.12, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethylsulfanyl-5-(4-hydroxyphenyl)-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 135698030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).