ethyl 7-[4-(furan-2-carbonyl)piperazin-1-yl]-5-oxo-4-phenacylthieno[3,2-b]pyridine-6-carboxylate

C27H25N3O6S — CID 59702117

IUPACethyl 7-[4-(furan-2-carbonyl)piperazin-1-yl]-5-oxo-4-phenacylthieno[3,2-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1c(N2CCN(C(=O)c3ccco3)CC2)c2sccc2n(CC(=O)c2ccccc2)c1=O
InChIInChI=1S/C27H25N3O6S/c1-2-35-27(34)22-23(28-11-13-29(14-12-28)25(32)21-9-6-15-36-21)24-19(10-16-37-24)30(26(22)33)17-20(31)18-7-4-3-5-8-18/h3-10,15-16H,2,11-14,17H2,1H3
InChIKeyPYFAMKOWEKWODX-UHFFFAOYSA-N
MW519.58 g/mol
LogP3.68
Rot. Bonds7

About ethyl 7-[4-(furan-2-carbonyl)piperazin-1-yl]-5-oxo-4-phenacylthieno[3,2-b]pyridine-6-carboxylate

ethyl 7-[4-(furan-2-carbonyl)piperazin-1-yl]-5-oxo-4-phenacylthieno[3,2-b]pyridine-6-carboxylate (PubChem CID 59702117) has the molecular formula C27H25N3O6S and a molecular weight of 519.58 g/mol. Its IUPAC name is ethyl 7-[4-(furan-2-carbonyl)piperazin-1-yl]-5-oxo-4-phenacylthieno[3,2-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-[4-(furan-2-carbonyl)piperazin-1-yl]-5-oxo-4-phenacylthieno[3,2-b]pyridine-6-carboxylate
PubChem CID59702117
Molecular FormulaC27H25N3O6S
Molecular Weight519.58 g/mol
Exact Mass519.15
IUPAC Nameethyl 7-[4-(furan-2-carbonyl)piperazin-1-yl]-5-oxo-4-phenacylthieno[3,2-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1c(N2CCN(C(=O)c3ccco3)CC2)c2sccc2n(CC(=O)c2ccccc2)c1=O
InChIInChI=1S/C27H25N3O6S/c1-2-35-27(34)22-23(28-11-13-29(14-12-28)25(32)21-9-6-15-36-21)24-19(10-16-37-24)30(26(22)33)17-20(31)18-7-4-3-5-8-18/h3-10,15-16H,2,11-14,17H2,1H3
InChIKeyPYFAMKOWEKWODX-UHFFFAOYSA-N
XLogP3.68
TPSA102.06 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.58
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 7-[4-(furan-2-carbonyl)piperazin-1-yl]-5-oxo-4-phenacylthieno[3,2-b]pyridine-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenacylquinoline-3-carboxylate
CID 23543985
ethane;ethyl 1-(2,2-dimethylpropyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate
CID 142188022
ethyl 1-(cyclopropylmethyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate
CID 23543888
ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(naphthalen-2-ylmethyl)-2-oxoquinoline-3-carboxylate
CID 23543890
ethyl 1-[2-(dimethylamino)ethyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate
CID 23543978
ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxylate
CID 23543892
ethyl 6-chloro-1-[3-(dimethylamino)propyl]-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;methane
CID 158149910
ethyl 4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-b]pyrrole-5-carboxylate
CID 655865
ethyl 1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-2-oxoquinoline-3-carboxylate;ethyl 1-benzyl-4-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-1,6-dimethyl-2-oxoquinoline-3-carboxylate
CID 159746864
ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]benzoate
CID 110672918
ethyl 1-(2,2-dimethylpropyl)-4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoquinoline-3-carboxylate;ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(2,2,2-trifluoroethyl)quinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(3H-pyrrole-5-carbonyl)piperazin-1-yl]quinoline-3-carboxylate
CID 158316613
ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(thiophen-3-ylmethyl)quinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate;ethyl 1-methyl-2-oxo-4-[4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylate
CID 158474152

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[4-(furan-2-carbonyl)piperazin-1-yl]-5-oxo-4-phenacylthieno[3,2-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 7-[4-(furan-2-carbonyl)piperazin-1-yl]-5-oxo-4-phenacylthieno[3,2-b]pyridine-6-carboxylate (CID 59702117) is ethyl 7-[4-(furan-2-carbonyl)piperazin-1-yl]-5-oxo-4-phenacylthieno[3,2-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 7-[4-(furan-2-carbonyl)piperazin-1-yl]-5-oxo-4-phenacylthieno[3,2-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 7-[4-(furan-2-carbonyl)piperazin-1-yl]-5-oxo-4-phenacylthieno[3,2-b]pyridine-6-carboxylate is CCOC(=O)c1c(N2CCN(C(=O)c3ccco3)CC2)c2sccc2n(CC(=O)c2ccccc2)c1=O.
What is the InChIKey of ethyl 7-[4-(furan-2-carbonyl)piperazin-1-yl]-5-oxo-4-phenacylthieno[3,2-b]pyridine-6-carboxylate?
The InChIKey is PYFAMKOWEKWODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O6S/c1-2-35-27(34)22-23(28-11-13-29(14-12-28)25(32)21-9-6-15-36-21)24-19(10-16-37-24)30(26(22)33)17-20(31)18-7-4-3-5-8-18/h3-10,15-16H,2,11-14,17H2,1H3.
What are the key properties of ethyl 7-[4-(furan-2-carbonyl)piperazin-1-yl]-5-oxo-4-phenacylthieno[3,2-b]pyridine-6-carboxylate?
ethyl 7-[4-(furan-2-carbonyl)piperazin-1-yl]-5-oxo-4-phenacylthieno[3,2-b]pyridine-6-carboxylate has a molecular weight of 519.58 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[4-(furan-2-carbonyl)piperazin-1-yl]-5-oxo-4-phenacylthieno[3,2-b]pyridine-6-carboxylate is sourced from PubChem (CID 59702117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).