1-(2-methylimidazol-1-yl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazine

C21H15N5S — CID 110172990

IUPAC1-(2-methylimidazol-1-yl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazine
SMILESCc1nccn1-c1nnc(-c2ccc(-c3ccccn3)s2)c2ccccc12
InChIInChI=1S/C21H15N5S/c1-14-22-12-13-26(14)21-16-7-3-2-6-15(16)20(24-25-21)19-10-9-18(27-19)17-8-4-5-11-23-17/h2-13H,1H3
InChIKeyCLFPBHHPOZTRAR-UHFFFAOYSA-N
MW369.45 g/mol
LogP4.91
Rot. Bonds3

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

1-(2-methylimidazol-1-yl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazine (PubChem CID 110172990) has the molecular formula C21H15N5S and a molecular weight of 369.45 g/mol. Its IUPAC name is 1-(2-methylimidazol-1-yl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazine.

Molecular Properties

Compound Name1-(2-methylimidazol-1-yl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazine
PubChem CID110172990
Molecular FormulaC21H15N5S
Molecular Weight369.45 g/mol
Exact Mass369.10
IUPAC Name1-(2-methylimidazol-1-yl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazine
SMILESCc1nccn1-c1nnc(-c2ccc(-c3ccccn3)s2)c2ccccc12
InChIInChI=1S/C21H15N5S/c1-14-22-12-13-26(14)21-16-7-3-2-6-15(16)20(24-25-21)19-10-9-18(27-19)17-8-4-5-11-23-17/h2-13H,1H3
InChIKeyCLFPBHHPOZTRAR-UHFFFAOYSA-N
XLogP4.91
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(furan-3-yl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazine
CID 110170174
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
2-[5-[5-(5-pyridin-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyridine
CID 102384658
2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyridine
CID 14748061
4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]-2-[4-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]phthalazin-1-yl]phthalazin-1-one
CID 110170190
dichloroiron;2-(5-pyridin-2-ylthiophen-2-yl)pyridine
CID 22968583
2-(2-methylimidazol-1-yl)pyridine-3-carboxamide
CID 55239978
2-(2-methylimidazol-1-yl)pyridine-3-carboximidamide
CID 24701918
4-(5-pyridin-2-ylthiophen-2-yl)isoquinoline
CID 110170154
N-[[1-(2-methylimidazol-1-yl)isoquinolin-4-yl]methyl]propan-2-amine
CID 106777129
2-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine
CID 59693441

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylimidazol-1-yl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazine?
The IUPAC name of 1-(2-methylimidazol-1-yl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazine (CID 110172990) is 1-(2-methylimidazol-1-yl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazine.
What is the SMILES notation for 1-(2-methylimidazol-1-yl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazine?
The canonical SMILES for 1-(2-methylimidazol-1-yl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazine is Cc1nccn1-c1nnc(-c2ccc(-c3ccccn3)s2)c2ccccc12.
What is the InChIKey of 1-(2-methylimidazol-1-yl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazine?
The InChIKey is CLFPBHHPOZTRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5S/c1-14-22-12-13-26(14)21-16-7-3-2-6-15(16)20(24-25-21)19-10-9-18(27-19)17-8-4-5-11-23-17/h2-13H,1H3.
What are the key properties of 1-(2-methylimidazol-1-yl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazine?
1-(2-methylimidazol-1-yl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazine has a molecular weight of 369.45 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylimidazol-1-yl)-4-(5-pyridin-2-ylthiophen-2-yl)phthalazine is sourced from PubChem (CID 110172990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).