ethyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate

C22H25ClN2O5 — CID 23475797

IUPACethyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCCCc1cc2c(c(=O)n1CCO)C(c1ccccc1Cl)C(C(=O)OCC)=C(N)O2
InChIInChI=1S/C22H25ClN2O5/c1-3-7-13-12-16-18(21(27)25(13)10-11-26)17(14-8-5-6-9-15(14)23)19(20(24)30-16)22(28)29-4-2/h5-6,8-9,12,17,26H,3-4,7,10-11,24H2,1-2H3
InChIKeyGIGUORGRHXHNIP-UHFFFAOYSA-N
MW432.90 g/mol
LogP2.70
Rot. Bonds7

About ethyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate

ethyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate (PubChem CID 23475797) has the molecular formula C22H25ClN2O5 and a molecular weight of 432.90 g/mol. Its IUPAC name is ethyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
PubChem CID23475797
Molecular FormulaC22H25ClN2O5
Molecular Weight432.90 g/mol
Exact Mass432.15
IUPAC Nameethyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
SMILESCCCc1cc2c(c(=O)n1CCO)C(c1ccccc1Cl)C(C(=O)OCC)=C(N)O2
InChIInChI=1S/C22H25ClN2O5/c1-3-7-13-12-16-18(21(27)25(13)10-11-26)17(14-8-5-6-9-15(14)23)19(20(24)30-16)22(28)29-4-2/h5-6,8-9,12,17,26H,3-4,7,10-11,24H2,1-2H3
InChIKeyGIGUORGRHXHNIP-UHFFFAOYSA-N
XLogP2.70
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.90
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate 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

methyl 2-amino-4-(2,4-dichlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 23475799
methyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 23475527
ethyl (4R)-2-amino-4-(2-chlorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carboxylate
CID 1110061
2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475710
methyl 2-amino-4-(2-chlorophenyl)-6-(2-methoxyethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 16833129
methyl 2-amino-4-(2-methoxyphenyl)-6-methyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 23475784
ethyl 2-amino-4-(3,4-dimethoxyphenyl)-6-ethyl-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 23475837
ethyl (1S)-3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carboxylate
CID 7039551
2-amino-4-(3-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475609
methyl 2-amino-6-methyl-5-oxo-4-phenyl-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 23475778
methyl 2-amino-4-(2-chlorophenyl)-6-(3-imidazol-1-ylpropyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 665874
methyl (4S)-2-amino-4-(2-chlorophenyl)-6-(3-imidazol-1-ylpropyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 7011974

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate (CID 23475797) is ethyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate is CCCc1cc2c(c(=O)n1CCO)C(c1ccccc1Cl)C(C(=O)OCC)=C(N)O2.
What is the InChIKey of ethyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate?
The InChIKey is GIGUORGRHXHNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O5/c1-3-7-13-12-16-18(21(27)25(13)10-11-26)17(14-8-5-6-9-15(14)23)19(20(24)30-16)22(28)29-4-2/h5-6,8-9,12,17,26H,3-4,7,10-11,24H2,1-2H3.
What are the key properties of ethyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate?
ethyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate has a molecular weight of 432.90 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(2-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 23475797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).