3-[[6-(furan-2-ylmethylidene)-4-(1H-pyrrol-2-ylmethylidene)-5-(thiophen-2-ylmethylidene)-1H-pyrimidin-2-yl]methylidene]-5-(1H-imidazol-2-ylmethylidene)-6-(1H-pyrazol-3-ylmethylidene)-4-(pyridin-2-ylmethylidene)pyridazine

C38H28N10OS — CID 151616737

IUPAC3-[[6-(furan-2-ylmethylidene)-4-(1H-pyrrol-2-ylmethylidene)-5-(thiophen-2-ylmethylidene)-1H-pyrimidin-2-yl]methylidene]-5-(1H-imidazol-2-ylmethylidene)-6-(1H-pyrazol-3-ylmethylidene)-4-(pyridin-2-ylmethylidene)pyridazine
SMILESC(=C1N=C(C=c2nnc(=Cc3cc[nH]n3)c(=Cc3ncc[nH]3)c2=Cc2ccccn2)NC(=Cc2ccco2)C1=Cc1cccs1)c1ccc[nH]1
InChIInChI=1S/C38H28N10OS/c1-2-11-39-25(6-1)18-30-31(23-37-41-14-15-42-37)35(20-27-10-13-43-46-27)47-48-36(30)24-38-44-33(19-26-7-3-12-40-26)32(22-29-9-5-17-50-29)34(45-38)21-28-8-4-16-49-28/h1-24,40H,(H,41,42)(H,43,46)(H,44,45)
InChIKeyQNQYYNVVZRTDIF-UHFFFAOYSA-N
MW672.78 g/mol
LogP3.73
Rot. Bonds7

About 3-[[6-(furan-2-ylmethylidene)-4-(1H-pyrrol-2-ylmethylidene)-5-(thiophen-2-ylmethylidene)-1H-pyrimidin-2-yl]methylidene]-5-(1H-imidazol-2-ylmethylidene)-6-(1H-pyrazol-3-ylmethylidene)-4-(pyridin-2-ylmethylidene)pyridazine

3-[[6-(furan-2-ylmethylidene)-4-(1H-pyrrol-2-ylmethylidene)-5-(thiophen-2-ylmethylidene)-1H-pyrimidin-2-yl]methylidene]-5-(1H-imidazol-2-ylmethylidene)-6-(1H-pyrazol-3-ylmethylidene)-4-(pyridin-2-ylmethylidene)pyridazine (PubChem CID 151616737) has the molecular formula C38H28N10OS and a molecular weight of 672.78 g/mol. Its IUPAC name is 3-[[6-(furan-2-ylmethylidene)-4-(1H-pyrrol-2-ylmethylidene)-5-(thiophen-2-ylmethylidene)-1H-pyrimidin-2-yl]methylidene]-5-(1H-imidazol-2-ylmethylidene)-6-(1H-pyrazol-3-ylmethylidene)-4-(pyridin-2-ylmethylidene)pyridazine.

Molecular Properties

Compound Name3-[[6-(furan-2-ylmethylidene)-4-(1H-pyrrol-2-ylmethylidene)-5-(thiophen-2-ylmethylidene)-1H-pyrimidin-2-yl]methylidene]-5-(1H-imidazol-2-ylmethylidene)-6-(1H-pyrazol-3-ylmethylidene)-4-(pyridin-2-ylmethylidene)pyridazine
PubChem CID151616737
Molecular FormulaC38H28N10OS
Molecular Weight672.78 g/mol
Exact Mass672.22
IUPAC Name3-[[6-(furan-2-ylmethylidene)-4-(1H-pyrrol-2-ylmethylidene)-5-(thiophen-2-ylmethylidene)-1H-pyrimidin-2-yl]methylidene]-5-(1H-imidazol-2-ylmethylidene)-6-(1H-pyrazol-3-ylmethylidene)-4-(pyridin-2-ylmethylidene)pyridazine
SMILESC(=C1N=C(C=c2nnc(=Cc3cc[nH]n3)c(=Cc3ncc[nH]3)c2=Cc2ccccn2)NC(=Cc2ccco2)C1=Cc1cccs1)c1ccc[nH]1
InChIInChI=1S/C38H28N10OS/c1-2-11-39-25(6-1)18-30-31(23-37-41-14-15-42-37)35(20-27-10-13-43-46-27)47-48-36(30)24-38-44-33(19-26-7-3-12-40-26)32(22-29-9-5-17-50-29)34(45-38)21-28-8-4-16-49-28/h1-24,40H,(H,41,42)(H,43,46)(H,44,45)
InChIKeyQNQYYNVVZRTDIF-UHFFFAOYSA-N
XLogP3.73
TPSA149.35 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500672.78
LogP ≤ 53.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 3-[[6-(furan-2-ylmethylidene)-4-(1H-pyrrol-2-ylmethylidene)-5-(thiophen-2-ylmethylidene)-1H-pyrimidin-2-yl]methylidene]-5-(1H-imidazol-2-ylmethylidene)-6-(1H-pyrazol-3-ylmethylidene)-4-(pyridin-2-ylmethylidene)pyridazine with MolForge

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Related Compounds

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4-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yltriazolidine
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2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-pyridin-2-yl-2H-pyrimidin-4-yl]-1,3-thiazole
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Frequently Asked Questions

What is the IUPAC name of 3-[[6-(furan-2-ylmethylidene)-4-(1H-pyrrol-2-ylmethylidene)-5-(thiophen-2-ylmethylidene)-1H-pyrimidin-2-yl]methylidene]-5-(1H-imidazol-2-ylmethylidene)-6-(1H-pyrazol-3-ylmethylidene)-4-(pyridin-2-ylmethylidene)pyridazine?
The IUPAC name of 3-[[6-(furan-2-ylmethylidene)-4-(1H-pyrrol-2-ylmethylidene)-5-(thiophen-2-ylmethylidene)-1H-pyrimidin-2-yl]methylidene]-5-(1H-imidazol-2-ylmethylidene)-6-(1H-pyrazol-3-ylmethylidene)-4-(pyridin-2-ylmethylidene)pyridazine (CID 151616737) is 3-[[6-(furan-2-ylmethylidene)-4-(1H-pyrrol-2-ylmethylidene)-5-(thiophen-2-ylmethylidene)-1H-pyrimidin-2-yl]methylidene]-5-(1H-imidazol-2-ylmethylidene)-6-(1H-pyrazol-3-ylmethylidene)-4-(pyridin-2-ylmethylidene)pyridazine.
What is the SMILES notation for 3-[[6-(furan-2-ylmethylidene)-4-(1H-pyrrol-2-ylmethylidene)-5-(thiophen-2-ylmethylidene)-1H-pyrimidin-2-yl]methylidene]-5-(1H-imidazol-2-ylmethylidene)-6-(1H-pyrazol-3-ylmethylidene)-4-(pyridin-2-ylmethylidene)pyridazine?
The canonical SMILES for 3-[[6-(furan-2-ylmethylidene)-4-(1H-pyrrol-2-ylmethylidene)-5-(thiophen-2-ylmethylidene)-1H-pyrimidin-2-yl]methylidene]-5-(1H-imidazol-2-ylmethylidene)-6-(1H-pyrazol-3-ylmethylidene)-4-(pyridin-2-ylmethylidene)pyridazine is C(=C1N=C(C=c2nnc(=Cc3cc[nH]n3)c(=Cc3ncc[nH]3)c2=Cc2ccccn2)NC(=Cc2ccco2)C1=Cc1cccs1)c1ccc[nH]1.
What is the InChIKey of 3-[[6-(furan-2-ylmethylidene)-4-(1H-pyrrol-2-ylmethylidene)-5-(thiophen-2-ylmethylidene)-1H-pyrimidin-2-yl]methylidene]-5-(1H-imidazol-2-ylmethylidene)-6-(1H-pyrazol-3-ylmethylidene)-4-(pyridin-2-ylmethylidene)pyridazine?
The InChIKey is QNQYYNVVZRTDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N10OS/c1-2-11-39-25(6-1)18-30-31(23-37-41-14-15-42-37)35(20-27-10-13-43-46-27)47-48-36(30)24-38-44-33(19-26-7-3-12-40-26)32(22-29-9-5-17-50-29)34(45-38)21-28-8-4-16-49-28/h1-24,40H,(H,41,42)(H,43,46)(H,44,45).
What are the key properties of 3-[[6-(furan-2-ylmethylidene)-4-(1H-pyrrol-2-ylmethylidene)-5-(thiophen-2-ylmethylidene)-1H-pyrimidin-2-yl]methylidene]-5-(1H-imidazol-2-ylmethylidene)-6-(1H-pyrazol-3-ylmethylidene)-4-(pyridin-2-ylmethylidene)pyridazine?
3-[[6-(furan-2-ylmethylidene)-4-(1H-pyrrol-2-ylmethylidene)-5-(thiophen-2-ylmethylidene)-1H-pyrimidin-2-yl]methylidene]-5-(1H-imidazol-2-ylmethylidene)-6-(1H-pyrazol-3-ylmethylidene)-4-(pyridin-2-ylmethylidene)pyridazine has a molecular weight of 672.78 g/mol, XLogP of 3.73, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(furan-2-ylmethylidene)-4-(1H-pyrrol-2-ylmethylidene)-5-(thiophen-2-ylmethylidene)-1H-pyrimidin-2-yl]methylidene]-5-(1H-imidazol-2-ylmethylidene)-6-(1H-pyrazol-3-ylmethylidene)-4-(pyridin-2-ylmethylidene)pyridazine is sourced from PubChem (CID 151616737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).