ethyl 6-propan-2-yl-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxylate

C17H18N2O2S — CID 175940269

IUPACethyl 6-propan-2-yl-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxylate
SMILESCCOC(=O)c1sc2c(C(C)C)c[nH]c2c1-c1ccccn1
InChIInChI=1S/C17H18N2O2S/c1-4-21-17(20)16-13(12-7-5-6-8-18-12)14-15(22-16)11(9-19-14)10(2)3/h5-10,19H,4H2,1-3H3
InChIKeyHHWSQOUJMDLREZ-UHFFFAOYSA-N
MW314.41 g/mol
LogP4.59
Rot. Bonds4

About ethyl 6-propan-2-yl-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxylate

ethyl 6-propan-2-yl-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxylate (PubChem CID 175940269) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is ethyl 6-propan-2-yl-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-propan-2-yl-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxylate
PubChem CID175940269
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Nameethyl 6-propan-2-yl-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxylate
SMILESCCOC(=O)c1sc2c(C(C)C)c[nH]c2c1-c1ccccn1
InChIInChI=1S/C17H18N2O2S/c1-4-21-17(20)16-13(12-7-5-6-8-18-12)14-15(22-16)11(9-19-14)10(2)3/h5-10,19H,4H2,1-3H3
InChIKeyHHWSQOUJMDLREZ-UHFFFAOYSA-N
XLogP4.59
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-propan-2-yl-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid
CID 175940282
ethyl 3-methyl-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 79022280
ethyl pyridine-2-carboxylate
CID 17307
ethyl 5-anilino-3-phenyl-4-pyridin-2-ylthiophene-2-carboxylate
CID 132520423
ethyl 4-methyl-5-pyridin-2-yl-3-(4-sulfamoylphenyl)thiophene-2-carboxylate
CID 172762564
ethyl 4-chloro-3-pyridin-2-yl-1H-pyrazole-5-carboxylate
CID 601590
ethyl 7-iodo-3-propan-2-ylthieno[2,3-c]pyridine-2-carboxylate
CID 163367201
ethyl 4,5-dimethyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate
CID 17475562
diethyl 3,6-bis(4-fluorophenyl)thieno[3,2-b]thiophene-2,5-dicarboxylate
CID 134386122
methyl 3-amino-5-methyl-4-pyridin-2-ylthiophene-2-carboxylate
CID 83971405
ethyl 3-oxo-5-pyridin-2-ylpyrazole-4-carboxylate
CID 70471541
ethyl 2-(4-pyridin-2-ylthiophen-3-yl)oxypropanoate
CID 11778270

Frequently Asked Questions

What is the IUPAC name of ethyl 6-propan-2-yl-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxylate?
The IUPAC name of ethyl 6-propan-2-yl-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxylate (CID 175940269) is ethyl 6-propan-2-yl-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 6-propan-2-yl-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxylate?
The canonical SMILES for ethyl 6-propan-2-yl-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxylate is CCOC(=O)c1sc2c(C(C)C)c[nH]c2c1-c1ccccn1.
What is the InChIKey of ethyl 6-propan-2-yl-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxylate?
The InChIKey is HHWSQOUJMDLREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-4-21-17(20)16-13(12-7-5-6-8-18-12)14-15(22-16)11(9-19-14)10(2)3/h5-10,19H,4H2,1-3H3.
What are the key properties of ethyl 6-propan-2-yl-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxylate?
ethyl 6-propan-2-yl-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxylate has a molecular weight of 314.41 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-propan-2-yl-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxylate is sourced from PubChem (CID 175940269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).