1-(furan-3-yl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazine

C21H13N3OS — CID 110170174

IUPAC1-(furan-3-yl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazine
SMILESc1ccc(-c2ccc(-c3nnc(-c4ccoc4)c4ccccc34)s2)nc1
InChIInChI=1S/C21H13N3OS/c1-2-6-16-15(5-1)20(14-10-12-25-13-14)23-24-21(16)19-9-8-18(26-19)17-7-3-4-11-22-17/h1-13H
InChIKeyZXOKSTAYVYMMFN-UHFFFAOYSA-N
MW355.42 g/mol
LogP5.68
Rot. Bonds3

About 1-(furan-3-yl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazine

1-(furan-3-yl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazine (PubChem CID 110170174) has the molecular formula C21H13N3OS and a molecular weight of 355.42 g/mol. Its IUPAC name is 1-(furan-3-yl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazine.

Molecular Properties

Compound Name1-(furan-3-yl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazine
PubChem CID110170174
Molecular FormulaC21H13N3OS
Molecular Weight355.42 g/mol
Exact Mass355.08
IUPAC Name1-(furan-3-yl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazine
SMILESc1ccc(-c2ccc(-c3nnc(-c4ccoc4)c4ccccc34)s2)nc1
InChIInChI=1S/C21H13N3OS/c1-2-6-16-15(5-1)20(14-10-12-25-13-14)23-24-21(16)19-9-8-18(26-19)17-7-3-4-11-22-17/h1-13H
InChIKeyZXOKSTAYVYMMFN-UHFFFAOYSA-N
XLogP5.68
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.42
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylimidazol-1-yl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazine
CID 110172990
2-[5-[5-(5-pyridin-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyridine
CID 102384658
N-cyclobutyl-4-(5-pyridin-2-ylthiophen-2-yl)phthalazin-1-amine
CID 110170166
N-(3-methylbutyl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazin-1-amine;hydrochloride
CID 110172996
3-(furan-3-yl)-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 80521431
dichloroiron;2-(5-pyridin-2-ylthiophen-2-yl)pyridine
CID 22968583
2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyridine
CID 14748061
3-[4-(furan-3-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridine
CID 137110825
5-benzyl-4-(furan-3-yl)-6-pyridin-2-ylpyrimidin-2-amine
CID 139449759
5-butyl-4-(furan-3-yl)-6-pyridin-2-ylpyrimidin-2-amine
CID 139449763
2-(furan-3-yl)pyridin-3-amine
CID 67131467
2-(5-ethynylthiophen-2-yl)pyridine
CID 15084146

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazine?
The IUPAC name of 1-(furan-3-yl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazine (CID 110170174) is 1-(furan-3-yl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazine.
What is the SMILES notation for 1-(furan-3-yl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazine?
The canonical SMILES for 1-(furan-3-yl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazine is c1ccc(-c2ccc(-c3nnc(-c4ccoc4)c4ccccc34)s2)nc1.
What is the InChIKey of 1-(furan-3-yl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazine?
The InChIKey is ZXOKSTAYVYMMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N3OS/c1-2-6-16-15(5-1)20(14-10-12-25-13-14)23-24-21(16)19-9-8-18(26-19)17-7-3-4-11-22-17/h1-13H.
What are the key properties of 1-(furan-3-yl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazine?
1-(furan-3-yl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazine has a molecular weight of 355.42 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazine is sourced from PubChem (CID 110170174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).