ethyl 5-oxo-6-phenylmethoxy-4-(piperidin-4-ylmethyl)thieno[3,2-b]pyridine-7-carboxylate

C23H26N2O4S — CID 138506103

IUPACethyl 5-oxo-6-phenylmethoxy-4-(piperidin-4-ylmethyl)thieno[3,2-b]pyridine-7-carboxylate
SMILESCCOC(=O)c1c(OCc2ccccc2)c(=O)n(CC2CCNCC2)c2ccsc12
InChIInChI=1S/C23H26N2O4S/c1-2-28-23(27)19-20(29-15-17-6-4-3-5-7-17)22(26)25(18-10-13-30-21(18)19)14-16-8-11-24-12-9-16/h3-7,10,13,16,24H,2,8-9,11-12,14-15H2,1H3
InChIKeyHEBNJGOLFBAQRF-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.82
Rot. Bonds7

About ethyl 5-oxo-6-phenylmethoxy-4-(piperidin-4-ylmethyl)thieno[3,2-b]pyridine-7-carboxylate

ethyl 5-oxo-6-phenylmethoxy-4-(piperidin-4-ylmethyl)thieno[3,2-b]pyridine-7-carboxylate (PubChem CID 138506103) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is ethyl 5-oxo-6-phenylmethoxy-4-(piperidin-4-ylmethyl)thieno[3,2-b]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 5-oxo-6-phenylmethoxy-4-(piperidin-4-ylmethyl)thieno[3,2-b]pyridine-7-carboxylate
PubChem CID138506103
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC Nameethyl 5-oxo-6-phenylmethoxy-4-(piperidin-4-ylmethyl)thieno[3,2-b]pyridine-7-carboxylate
SMILESCCOC(=O)c1c(OCc2ccccc2)c(=O)n(CC2CCNCC2)c2ccsc12
InChIInChI=1S/C23H26N2O4S/c1-2-28-23(27)19-20(29-15-17-6-4-3-5-7-17)22(26)25(18-10-13-30-21(18)19)14-16-8-11-24-12-9-16/h3-7,10,13,16,24H,2,8-9,11-12,14-15H2,1H3
InChIKeyHEBNJGOLFBAQRF-UHFFFAOYSA-N
XLogP3.82
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-ethyl-5-oxo-6-phenylmethoxythieno[3,2-b]pyridine-7-carboxylate
CID 138512675
ethyl 5-oxo-6-phenylmethoxy-4-[[5-(2-pyridin-4-ylethyl)-1H-pyrazol-4-yl]methyl]thieno[3,2-b]pyridine-7-carboxylate
CID 138506025
ethyl 4-[(4-aminophenyl)methyl]-6-butoxy-5-oxothieno[3,2-b]pyridine-7-carboxylate
CID 164820266
7-acetyl-6-methoxy-4-(2-phenylethyl)thieno[3,2-b]pyridin-5-one
CID 164950352
2-(4-ethoxycarbonyl-6-methyl-2-oxo-3-phenylmethoxy-1-pyridinyl)acetic acid
CID 122441506
6-hydroxy-4-(oxan-4-ylmethyl)-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
CID 138512802
ethyl 1-benzyl-4-hydroxy-2-oxo-7-phenylmethoxyquinoline-3-carboxylate
CID 90796257
ethyl 4-[(E)-benzylideneamino]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylate
CID 87255401
ethyl 2-methyl-6-phenylmethoxybenzoate
CID 67461909
ethane;ethyl 2-[4-(hydroxymethyl)piperidin-1-yl]-6-oxo-5-phenylmethoxy-1H-pyrimidine-4-carboxylate
CID 143867231
ethyl 1,2-dimethyl-3,6-dioxo-7-phenylmethoxy-4H-pyrimido[2,1-c][1,2,4]triazine-8-carboxylate
CID 18442536
6-methyl-5-phenylmethoxy-2-(3-piperidin-4-ylpropyl)pyrimidine-4-carboxylic acid
CID 67156396

Frequently Asked Questions

What is the IUPAC name of ethyl 5-oxo-6-phenylmethoxy-4-(piperidin-4-ylmethyl)thieno[3,2-b]pyridine-7-carboxylate?
The IUPAC name of ethyl 5-oxo-6-phenylmethoxy-4-(piperidin-4-ylmethyl)thieno[3,2-b]pyridine-7-carboxylate (CID 138506103) is ethyl 5-oxo-6-phenylmethoxy-4-(piperidin-4-ylmethyl)thieno[3,2-b]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 5-oxo-6-phenylmethoxy-4-(piperidin-4-ylmethyl)thieno[3,2-b]pyridine-7-carboxylate?
The canonical SMILES for ethyl 5-oxo-6-phenylmethoxy-4-(piperidin-4-ylmethyl)thieno[3,2-b]pyridine-7-carboxylate is CCOC(=O)c1c(OCc2ccccc2)c(=O)n(CC2CCNCC2)c2ccsc12.
What is the InChIKey of ethyl 5-oxo-6-phenylmethoxy-4-(piperidin-4-ylmethyl)thieno[3,2-b]pyridine-7-carboxylate?
The InChIKey is HEBNJGOLFBAQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-2-28-23(27)19-20(29-15-17-6-4-3-5-7-17)22(26)25(18-10-13-30-21(18)19)14-16-8-11-24-12-9-16/h3-7,10,13,16,24H,2,8-9,11-12,14-15H2,1H3.
What are the key properties of ethyl 5-oxo-6-phenylmethoxy-4-(piperidin-4-ylmethyl)thieno[3,2-b]pyridine-7-carboxylate?
ethyl 5-oxo-6-phenylmethoxy-4-(piperidin-4-ylmethyl)thieno[3,2-b]pyridine-7-carboxylate has a molecular weight of 426.54 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-oxo-6-phenylmethoxy-4-(piperidin-4-ylmethyl)thieno[3,2-b]pyridine-7-carboxylate is sourced from PubChem (CID 138506103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).