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

C25H25N3O5S — CID 135610415

IUPACethyl 5-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)Nc2nc(SC)[nH]c(=O)c2C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C25H25N3O5S/c1-5-33-24(30)19-18(15-11-12-16(31-2)17(13-15)32-3)20-22(27-25(34-4)28-23(20)29)26-21(19)14-9-7-6-8-10-14/h6-13,18H,5H2,1-4H3,(H2,26,27,28,29)
InChIKeyCUAYOZDHLUUDGJ-UHFFFAOYSA-N
MW479.56 g/mol
LogP4.04
Rot. Bonds7

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

ethyl 5-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate (PubChem CID 135610415) has the molecular formula C25H25N3O5S and a molecular weight of 479.56 g/mol. Its IUPAC name is ethyl 5-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
PubChem CID135610415
Molecular FormulaC25H25N3O5S
Molecular Weight479.56 g/mol
Exact Mass479.15
IUPAC Nameethyl 5-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)Nc2nc(SC)[nH]c(=O)c2C1c1ccc(OC)c(OC)c1
InChIInChI=1S/C25H25N3O5S/c1-5-33-24(30)19-18(15-11-12-16(31-2)17(13-15)32-3)20-22(27-25(34-4)28-23(20)29)26-21(19)14-9-7-6-8-10-14/h6-13,18H,5H2,1-4H3,(H2,26,27,28,29)
InChIKeyCUAYOZDHLUUDGJ-UHFFFAOYSA-N
XLogP4.04
TPSA102.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

ethyl 5-(3,4-dimethoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 135488612
ethyl 2-ethylsulfanyl-5-(4-hydroxyphenyl)-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 135698030
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-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-[(2-fluorophenyl)methylsulfanyl]-5-(3-methoxyphenyl)-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 135470150
ethyl 2-[(2-fluorophenyl)methylsulfanyl]-4-oxo-5,7-diphenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 135522575
ethyl 5-(3-methoxyphenyl)-7-methyl-2-methylsulfanyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 135514939
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-(2-methoxyphenyl)-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 135473802
ethyl (5S)-5-(3,4-dichlorophenyl)-7-methyl-2-methylsulfanyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 135923402
methyl 2-benzylsulfanyl-5-(3,4-dimethoxyphenyl)-7-methyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 135460892
methyl 5-(4-hydroxy-3-methoxyphenyl)-7-methyl-2-methylsulfanyl-4-oxo-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate
CID 135447868

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 5-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate (CID 135610415) is ethyl 5-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 5-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 5-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)C1=C(c2ccccc2)Nc2nc(SC)[nH]c(=O)c2C1c1ccc(OC)c(OC)c1.
What is the InChIKey of ethyl 5-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is CUAYOZDHLUUDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5S/c1-5-33-24(30)19-18(15-11-12-16(31-2)17(13-15)32-3)20-22(27-25(34-4)28-23(20)29)26-21(19)14-9-7-6-8-10-14/h6-13,18H,5H2,1-4H3,(H2,26,27,28,29).
What are the key properties of ethyl 5-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate?
ethyl 5-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 479.56 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3,4-dimethoxyphenyl)-2-methylsulfanyl-4-oxo-7-phenyl-5,8-dihydro-3H-pyrido[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 135610415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).