ethane;ethyl 5-(5-cyclopropylpyrazin-2-yl)-2-methyl-1-benzofuran-3-carboxylate

C23H30N2O3 — CID 177038723

IUPACethane;ethyl 5-(5-cyclopropylpyrazin-2-yl)-2-methyl-1-benzofuran-3-carboxylate
SMILESCC.CC.CCOC(=O)c1c(C)oc2ccc(-c3cnc(C4CC4)cn3)cc12
InChIInChI=1S/C19H18N2O3.2C2H6/c1-3-23-19(22)18-11(2)24-17-7-6-13(8-14(17)18)16-10-20-15(9-21-16)12-4-5-12;2*1-2/h6-10,12H,3-5H2,1-2H3;2*1-2H3
InChIKeyPIEXWGOTQAOUCP-UHFFFAOYSA-N
MW382.50 g/mol
LogP6.30
Rot. Bonds4

About ethane;ethyl 5-(5-cyclopropylpyrazin-2-yl)-2-methyl-1-benzofuran-3-carboxylate

ethane;ethyl 5-(5-cyclopropylpyrazin-2-yl)-2-methyl-1-benzofuran-3-carboxylate (PubChem CID 177038723) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is ethane;ethyl 5-(5-cyclopropylpyrazin-2-yl)-2-methyl-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 5-(5-cyclopropylpyrazin-2-yl)-2-methyl-1-benzofuran-3-carboxylate
PubChem CID177038723
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Nameethane;ethyl 5-(5-cyclopropylpyrazin-2-yl)-2-methyl-1-benzofuran-3-carboxylate
SMILESCC.CC.CCOC(=O)c1c(C)oc2ccc(-c3cnc(C4CC4)cn3)cc12
InChIInChI=1S/C19H18N2O3.2C2H6/c1-3-23-19(22)18-11(2)24-17-7-6-13(8-14(17)18)16-10-20-15(9-21-16)12-4-5-12;2*1-2/h6-10,12H,3-5H2,1-2H3;2*1-2H3
InChIKeyPIEXWGOTQAOUCP-UHFFFAOYSA-N
XLogP6.30
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;ethyl 5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
CID 170599419
ethane;ethyl 5-(cyclobutylmethoxy)-2-methyl-1-benzofuran-3-carboxylate
CID 170599447
ethyl 5-(2-amino-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
CID 651493
ethyl 5-[(2,2-difluorocyclopropyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
CID 170347607
ethyl 2-methyl-4-oxo-6-phenylchromene-3-carboxylate
CID 134867655
ethyl 2-methyl-5-(2-methylpropoxy)-1-benzofuran-3-carboxylate
CID 170347431
ethyl 5-[(1R)-2-ethoxy-2-oxo-1-phenylethoxy]-2-methyl-1-benzofuran-3-carboxylate
CID 1325291
ethane;ethyl 5-hydroxy-2,6-dimethyl-1-benzofuran-3-carboxylate
CID 163379939
ethyl 2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxylate
CID 163380072
N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-(4-cyclopropyl-2-pyridinyl)-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 177038655
ethyl 5-[(2-chloro-3-pyridinyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
CID 163380731
CID 177038677
CID 177038677

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 5-(5-cyclopropylpyrazin-2-yl)-2-methyl-1-benzofuran-3-carboxylate?
The IUPAC name of ethane;ethyl 5-(5-cyclopropylpyrazin-2-yl)-2-methyl-1-benzofuran-3-carboxylate (CID 177038723) is ethane;ethyl 5-(5-cyclopropylpyrazin-2-yl)-2-methyl-1-benzofuran-3-carboxylate.
What is the SMILES notation for ethane;ethyl 5-(5-cyclopropylpyrazin-2-yl)-2-methyl-1-benzofuran-3-carboxylate?
The canonical SMILES for ethane;ethyl 5-(5-cyclopropylpyrazin-2-yl)-2-methyl-1-benzofuran-3-carboxylate is CC.CC.CCOC(=O)c1c(C)oc2ccc(-c3cnc(C4CC4)cn3)cc12.
What is the InChIKey of ethane;ethyl 5-(5-cyclopropylpyrazin-2-yl)-2-methyl-1-benzofuran-3-carboxylate?
The InChIKey is PIEXWGOTQAOUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3.2C2H6/c1-3-23-19(22)18-11(2)24-17-7-6-13(8-14(17)18)16-10-20-15(9-21-16)12-4-5-12;2*1-2/h6-10,12H,3-5H2,1-2H3;2*1-2H3.
What are the key properties of ethane;ethyl 5-(5-cyclopropylpyrazin-2-yl)-2-methyl-1-benzofuran-3-carboxylate?
ethane;ethyl 5-(5-cyclopropylpyrazin-2-yl)-2-methyl-1-benzofuran-3-carboxylate has a molecular weight of 382.50 g/mol, XLogP of 6.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 5-(5-cyclopropylpyrazin-2-yl)-2-methyl-1-benzofuran-3-carboxylate is sourced from PubChem (CID 177038723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).