ethyl 6-[(3-cyano-4,5-diphenylfuran-2-yl)amino]pyridazine-3-carboxylate

C24H18N4O3 — CID 108774402

IUPACethyl 6-[(3-cyano-4,5-diphenylfuran-2-yl)amino]pyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)nn1
InChIInChI=1S/C24H18N4O3/c1-2-30-24(29)19-13-14-20(28-27-19)26-23-18(15-25)21(16-9-5-3-6-10-16)22(31-23)17-11-7-4-8-12-17/h3-14H,2H2,1H3,(H,26,28)
InChIKeyUAGIQSPWTXPZLB-UHFFFAOYSA-N
MW410.43 g/mol
LogP5.20
Rot. Bonds6

About ethyl 6-[(3-cyano-4,5-diphenylfuran-2-yl)amino]pyridazine-3-carboxylate

ethyl 6-[(3-cyano-4,5-diphenylfuran-2-yl)amino]pyridazine-3-carboxylate (PubChem CID 108774402) has the molecular formula C24H18N4O3 and a molecular weight of 410.43 g/mol. Its IUPAC name is ethyl 6-[(3-cyano-4,5-diphenylfuran-2-yl)amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(3-cyano-4,5-diphenylfuran-2-yl)amino]pyridazine-3-carboxylate
PubChem CID108774402
Molecular FormulaC24H18N4O3
Molecular Weight410.43 g/mol
Exact Mass410.14
IUPAC Nameethyl 6-[(3-cyano-4,5-diphenylfuran-2-yl)amino]pyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)nn1
InChIInChI=1S/C24H18N4O3/c1-2-30-24(29)19-13-14-20(28-27-19)26-23-18(15-25)21(16-9-5-3-6-10-16)22(31-23)17-11-7-4-8-12-17/h3-14H,2H2,1H3,(H,26,28)
InChIKeyUAGIQSPWTXPZLB-UHFFFAOYSA-N
XLogP5.20
TPSA101.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.43
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(3-cyano-4,5-diphenylfuran-2-yl)amino]pyridazine-3-carboxylate?
The IUPAC name of ethyl 6-[(3-cyano-4,5-diphenylfuran-2-yl)amino]pyridazine-3-carboxylate (CID 108774402) is ethyl 6-[(3-cyano-4,5-diphenylfuran-2-yl)amino]pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(3-cyano-4,5-diphenylfuran-2-yl)amino]pyridazine-3-carboxylate?
The canonical SMILES for ethyl 6-[(3-cyano-4,5-diphenylfuran-2-yl)amino]pyridazine-3-carboxylate is CCOC(=O)c1ccc(Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)nn1.
What is the InChIKey of ethyl 6-[(3-cyano-4,5-diphenylfuran-2-yl)amino]pyridazine-3-carboxylate?
The InChIKey is UAGIQSPWTXPZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3/c1-2-30-24(29)19-13-14-20(28-27-19)26-23-18(15-25)21(16-9-5-3-6-10-16)22(31-23)17-11-7-4-8-12-17/h3-14H,2H2,1H3,(H,26,28).
What are the key properties of ethyl 6-[(3-cyano-4,5-diphenylfuran-2-yl)amino]pyridazine-3-carboxylate?
ethyl 6-[(3-cyano-4,5-diphenylfuran-2-yl)amino]pyridazine-3-carboxylate has a molecular weight of 410.43 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(3-cyano-4,5-diphenylfuran-2-yl)amino]pyridazine-3-carboxylate is sourced from PubChem (CID 108774402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).