2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-4,5-diphenylfuran-3-carbonitrile

C27H17FN4O — CID 108774400

IUPAC2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-4,5-diphenylfuran-3-carbonitrile
SMILESN#Cc1c(Nc2ccc(-c3ccc(F)cc3)nn2)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C27H17FN4O/c28-21-13-11-18(12-14-21)23-15-16-24(32-31-23)30-27-22(17-29)25(19-7-3-1-4-8-19)26(33-27)20-9-5-2-6-10-20/h1-16H,(H,30,32)
InChIKeyBPDIOLKIDAZPAJ-UHFFFAOYSA-N
MW432.46 g/mol
LogP6.82
Rot. Bonds5

About 2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-4,5-diphenylfuran-3-carbonitrile

2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-4,5-diphenylfuran-3-carbonitrile (PubChem CID 108774400) has the molecular formula C27H17FN4O and a molecular weight of 432.46 g/mol. Its IUPAC name is 2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-4,5-diphenylfuran-3-carbonitrile.

Molecular Properties

Compound Name2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-4,5-diphenylfuran-3-carbonitrile
PubChem CID108774400
Molecular FormulaC27H17FN4O
Molecular Weight432.46 g/mol
Exact Mass432.14
IUPAC Name2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-4,5-diphenylfuran-3-carbonitrile
SMILESN#Cc1c(Nc2ccc(-c3ccc(F)cc3)nn2)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C27H17FN4O/c28-21-13-11-18(12-14-21)23-15-16-24(32-31-23)30-27-22(17-29)25(19-7-3-1-4-8-19)26(33-27)20-9-5-2-6-10-20/h1-16H,(H,30,32)
InChIKeyBPDIOLKIDAZPAJ-UHFFFAOYSA-N
XLogP6.82
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.46
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-4,5-diphenylfuran-3-carbonitrile?
The IUPAC name of 2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-4,5-diphenylfuran-3-carbonitrile (CID 108774400) is 2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-4,5-diphenylfuran-3-carbonitrile.
What is the SMILES notation for 2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-4,5-diphenylfuran-3-carbonitrile?
The canonical SMILES for 2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-4,5-diphenylfuran-3-carbonitrile is N#Cc1c(Nc2ccc(-c3ccc(F)cc3)nn2)oc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-4,5-diphenylfuran-3-carbonitrile?
The InChIKey is BPDIOLKIDAZPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17FN4O/c28-21-13-11-18(12-14-21)23-15-16-24(32-31-23)30-27-22(17-29)25(19-7-3-1-4-8-19)26(33-27)20-9-5-2-6-10-20/h1-16H,(H,30,32).
What are the key properties of 2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-4,5-diphenylfuran-3-carbonitrile?
2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-4,5-diphenylfuran-3-carbonitrile has a molecular weight of 432.46 g/mol, XLogP of 6.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-4,5-diphenylfuran-3-carbonitrile is sourced from PubChem (CID 108774400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).