ethyl 3-[[4-ethoxy-3-(4-oxo-8-propyl-3H-pyrido[3,2-d]pyrimidin-2-yl)phenyl]sulfonyl-methylamino]propanoate

C24H30N4O6S — CID 135484055

IUPACethyl 3-[[4-ethoxy-3-(4-oxo-8-propyl-3H-pyrido[3,2-d]pyrimidin-2-yl)phenyl]sulfonyl-methylamino]propanoate
SMILESCCCc1ccnc2c(=O)[nH]c(-c3cc(S(=O)(=O)N(C)CCC(=O)OCC)ccc3OCC)nc12
InChIInChI=1S/C24H30N4O6S/c1-5-8-16-11-13-25-22-21(16)26-23(27-24(22)30)18-15-17(9-10-19(18)33-6-2)35(31,32)28(4)14-12-20(29)34-7-3/h9-11,13,15H,5-8,12,14H2,1-4H3,(H,26,27,30)
InChIKeyVMHVHLFKHODPQL-UHFFFAOYSA-N
MW502.59 g/mol
LogP2.91
Rot. Bonds11

About ethyl 3-[[4-ethoxy-3-(4-oxo-8-propyl-3H-pyrido[3,2-d]pyrimidin-2-yl)phenyl]sulfonyl-methylamino]propanoate

ethyl 3-[[4-ethoxy-3-(4-oxo-8-propyl-3H-pyrido[3,2-d]pyrimidin-2-yl)phenyl]sulfonyl-methylamino]propanoate (PubChem CID 135484055) has the molecular formula C24H30N4O6S and a molecular weight of 502.59 g/mol. Its IUPAC name is ethyl 3-[[4-ethoxy-3-(4-oxo-8-propyl-3H-pyrido[3,2-d]pyrimidin-2-yl)phenyl]sulfonyl-methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[4-ethoxy-3-(4-oxo-8-propyl-3H-pyrido[3,2-d]pyrimidin-2-yl)phenyl]sulfonyl-methylamino]propanoate
PubChem CID135484055
Molecular FormulaC24H30N4O6S
Molecular Weight502.59 g/mol
Exact Mass502.19
IUPAC Nameethyl 3-[[4-ethoxy-3-(4-oxo-8-propyl-3H-pyrido[3,2-d]pyrimidin-2-yl)phenyl]sulfonyl-methylamino]propanoate
SMILESCCCc1ccnc2c(=O)[nH]c(-c3cc(S(=O)(=O)N(C)CCC(=O)OCC)ccc3OCC)nc12
InChIInChI=1S/C24H30N4O6S/c1-5-8-16-11-13-25-22-21(16)26-23(27-24(22)30)18-15-17(9-10-19(18)33-6-2)35(31,32)28(4)14-12-20(29)34-7-3/h9-11,13,15H,5-8,12,14H2,1-4H3,(H,26,27,30)
InChIKeyVMHVHLFKHODPQL-UHFFFAOYSA-N
XLogP2.91
TPSA131.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.59
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 3-[[4-ethoxy-3-(4-oxo-8-propyl-3H-pyrido[3,2-d]pyrimidin-2-yl)phenyl]sulfonyl-methylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]sulfonyl-methylamino]ethyl acetate
CID 136618789
3-(5,7-dihydroxy-4-oxo-8-propyl-3H-quinazolin-2-yl)-4-ethoxybenzenesulfonamide
CID 137123444
N-[2-(diethylamino)ethyl]-4-ethoxy-N-methyl-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 135708033
4-ethoxy-N-methyl-N-[2-(methylamino)ethyl]-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 135906899
2-(2-ethoxy-5-methylsulfonylphenyl)-5-methyl-7-propyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 161119515
ethyl 4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]sulfonylpiperazine-1-carboxylate
CID 135529005
ethyl 2-[4-(2-ethoxy-2-oxoethyl)-1-[3-(5-ethyl-4-oxo-7-propyl-3H-pyrrolo[3,2-d]pyrimidin-2-yl)-4-propoxyphenyl]sulfonylpiperidin-4-yl]acetate
CID 137315766
N-[3-(diethylamino)-2-hydroxypropyl]-4-ethoxy-N-methyl-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 135708047
2-[2-acetyloxyethyl-[4-ethoxy-3-(3-ethyl-1-methyl-7-oxo-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]sulfonylamino]ethyl acetate
CID 135798066
N-[2-(dimethylamino)ethyl]-4-ethoxy-N-methyl-3-(5-methyl-4-oxo-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)benzenesulfonamide
CID 135769894
1-[4-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)phenyl]sulfonylpiperazin-1-yl]propane-1,2-dione
CID 162360816
(2S)-2-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]sulfonyl-methylamino]-N,N-dimethylpropanamide
CID 135438378

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[4-ethoxy-3-(4-oxo-8-propyl-3H-pyrido[3,2-d]pyrimidin-2-yl)phenyl]sulfonyl-methylamino]propanoate?
The IUPAC name of ethyl 3-[[4-ethoxy-3-(4-oxo-8-propyl-3H-pyrido[3,2-d]pyrimidin-2-yl)phenyl]sulfonyl-methylamino]propanoate (CID 135484055) is ethyl 3-[[4-ethoxy-3-(4-oxo-8-propyl-3H-pyrido[3,2-d]pyrimidin-2-yl)phenyl]sulfonyl-methylamino]propanoate.
What is the SMILES notation for ethyl 3-[[4-ethoxy-3-(4-oxo-8-propyl-3H-pyrido[3,2-d]pyrimidin-2-yl)phenyl]sulfonyl-methylamino]propanoate?
The canonical SMILES for ethyl 3-[[4-ethoxy-3-(4-oxo-8-propyl-3H-pyrido[3,2-d]pyrimidin-2-yl)phenyl]sulfonyl-methylamino]propanoate is CCCc1ccnc2c(=O)[nH]c(-c3cc(S(=O)(=O)N(C)CCC(=O)OCC)ccc3OCC)nc12.
What is the InChIKey of ethyl 3-[[4-ethoxy-3-(4-oxo-8-propyl-3H-pyrido[3,2-d]pyrimidin-2-yl)phenyl]sulfonyl-methylamino]propanoate?
The InChIKey is VMHVHLFKHODPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O6S/c1-5-8-16-11-13-25-22-21(16)26-23(27-24(22)30)18-15-17(9-10-19(18)33-6-2)35(31,32)28(4)14-12-20(29)34-7-3/h9-11,13,15H,5-8,12,14H2,1-4H3,(H,26,27,30).
What are the key properties of ethyl 3-[[4-ethoxy-3-(4-oxo-8-propyl-3H-pyrido[3,2-d]pyrimidin-2-yl)phenyl]sulfonyl-methylamino]propanoate?
ethyl 3-[[4-ethoxy-3-(4-oxo-8-propyl-3H-pyrido[3,2-d]pyrimidin-2-yl)phenyl]sulfonyl-methylamino]propanoate has a molecular weight of 502.59 g/mol, XLogP of 2.91, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[4-ethoxy-3-(4-oxo-8-propyl-3H-pyrido[3,2-d]pyrimidin-2-yl)phenyl]sulfonyl-methylamino]propanoate is sourced from PubChem (CID 135484055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).