ethyl 5-amino-6-cyano-7-(furan-3-yl)-1,7-dihydropyrano[2,3-d]imidazole-2-carboxylate

C14H12N4O4 — CID 4542431

IUPACethyl 5-amino-6-cyano-7-(furan-3-yl)-1,7-dihydropyrano[2,3-d]imidazole-2-carboxylate
SMILESCCOC(=O)c1nc2c([nH]1)C(c1ccoc1)C(C#N)=C(N)O2
InChIInChI=1S/C14H12N4O4/c1-2-21-14(19)12-17-10-9(7-3-4-20-6-7)8(5-15)11(16)22-13(10)18-12/h3-4,6,9H,2,16H2,1H3,(H,17,18)
InChIKeyQSFZHDOFGILVOD-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.40
Rot. Bonds3

About ethyl 5-amino-6-cyano-7-(furan-3-yl)-1,7-dihydropyrano[2,3-d]imidazole-2-carboxylate

ethyl 5-amino-6-cyano-7-(furan-3-yl)-1,7-dihydropyrano[2,3-d]imidazole-2-carboxylate (PubChem CID 4542431) has the molecular formula C14H12N4O4 and a molecular weight of 300.27 g/mol. Its IUPAC name is ethyl 5-amino-6-cyano-7-(furan-3-yl)-1,7-dihydropyrano[2,3-d]imidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-6-cyano-7-(furan-3-yl)-1,7-dihydropyrano[2,3-d]imidazole-2-carboxylate
PubChem CID4542431
Molecular FormulaC14H12N4O4
Molecular Weight300.27 g/mol
Exact Mass300.09
IUPAC Nameethyl 5-amino-6-cyano-7-(furan-3-yl)-1,7-dihydropyrano[2,3-d]imidazole-2-carboxylate
SMILESCCOC(=O)c1nc2c([nH]1)C(c1ccoc1)C(C#N)=C(N)O2
InChIInChI=1S/C14H12N4O4/c1-2-21-14(19)12-17-10-9(7-3-4-20-6-7)8(5-15)11(16)22-13(10)18-12/h3-4,6,9H,2,16H2,1H3,(H,17,18)
InChIKeyQSFZHDOFGILVOD-UHFFFAOYSA-N
XLogP1.40
TPSA127.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 5-amino-6-cyano-7-(furan-3-yl)-1,7-dihydropyrano[2,3-d]imidazole-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl (7R)-5-amino-6-cyano-7-(2-fluorophenyl)-1,7-dihydropyrano[2,3-d]imidazole-2-carboxylate
CID 722296
benzyl (4S)-6-amino-5-cyano-4-(furan-3-yl)-2-methyl-4H-pyran-3-carboxylate
CID 1089863
6-amino-4-(furan-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 645331
5-amino-7-(4-hydroxyphenyl)-2-methyl-1,7-dihydropyrano[2,3-d]imidazole-6-carbonitrile
CID 4030406
ethyl 6-amino-5-cyano-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-3-carboxylate
CID 110875310
ethyl 6-amino-5-cyano-2-methyl-4-phenyl-4H-pyran-3-carboxylate;hydrate
CID 51056751
ethyl (4R)-6-amino-5-cyano-2-methyl-4-(5-methylthiophen-2-yl)-4H-pyran-3-carboxylate
CID 679389
(4R)-6-amino-4-(furan-3-yl)-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 40608116
ethyl (4S)-6-amino-5-cyano-2,4-bis(4-methylphenyl)-4H-pyran-3-carboxylate
CID 139079838
ethyl (4R)-6-amino-5-cyano-4-(3,4-difluorophenyl)-2-methyl-4H-pyran-3-carboxylate
CID 702305
ethyl 6-amino-5-cyano-4-(2-ethoxycarbonylphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 169391701
ethyl 6-amino-5-cyano-4-(3-fluoro-2-methylphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 169390382

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-6-cyano-7-(furan-3-yl)-1,7-dihydropyrano[2,3-d]imidazole-2-carboxylate?
The IUPAC name of ethyl 5-amino-6-cyano-7-(furan-3-yl)-1,7-dihydropyrano[2,3-d]imidazole-2-carboxylate (CID 4542431) is ethyl 5-amino-6-cyano-7-(furan-3-yl)-1,7-dihydropyrano[2,3-d]imidazole-2-carboxylate.
What is the SMILES notation for ethyl 5-amino-6-cyano-7-(furan-3-yl)-1,7-dihydropyrano[2,3-d]imidazole-2-carboxylate?
The canonical SMILES for ethyl 5-amino-6-cyano-7-(furan-3-yl)-1,7-dihydropyrano[2,3-d]imidazole-2-carboxylate is CCOC(=O)c1nc2c([nH]1)C(c1ccoc1)C(C#N)=C(N)O2.
What is the InChIKey of ethyl 5-amino-6-cyano-7-(furan-3-yl)-1,7-dihydropyrano[2,3-d]imidazole-2-carboxylate?
The InChIKey is QSFZHDOFGILVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O4/c1-2-21-14(19)12-17-10-9(7-3-4-20-6-7)8(5-15)11(16)22-13(10)18-12/h3-4,6,9H,2,16H2,1H3,(H,17,18).
What are the key properties of ethyl 5-amino-6-cyano-7-(furan-3-yl)-1,7-dihydropyrano[2,3-d]imidazole-2-carboxylate?
ethyl 5-amino-6-cyano-7-(furan-3-yl)-1,7-dihydropyrano[2,3-d]imidazole-2-carboxylate has a molecular weight of 300.27 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-6-cyano-7-(furan-3-yl)-1,7-dihydropyrano[2,3-d]imidazole-2-carboxylate is sourced from PubChem (CID 4542431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).