N-(3-chloro-4-fluorophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide

C15H11ClFN5O — CID 71791768

IUPACN-(3-chloro-4-fluorophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide
SMILESCc1nccn1-c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)nn1
InChIInChI=1S/C15H11ClFN5O/c1-9-18-6-7-22(9)14-5-4-13(20-21-14)15(23)19-10-2-3-12(17)11(16)8-10/h2-8H,1H3,(H,19,23)
InChIKeyUTQIHTIQYCCFOP-UHFFFAOYSA-N
MW331.74 g/mol
LogP3.02
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide

N-(3-chloro-4-fluorophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide (PubChem CID 71791768) has the molecular formula C15H11ClFN5O and a molecular weight of 331.74 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide
PubChem CID71791768
Molecular FormulaC15H11ClFN5O
Molecular Weight331.74 g/mol
Exact Mass331.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide
SMILESCc1nccn1-c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)nn1
InChIInChI=1S/C15H11ClFN5O/c1-9-18-6-7-22(9)14-5-4-13(20-21-14)15(23)19-10-2-3-12(17)11(16)8-10/h2-8H,1H3,(H,19,23)
InChIKeyUTQIHTIQYCCFOP-UHFFFAOYSA-N
XLogP3.02
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.74
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide (CID 71791768) is N-(3-chloro-4-fluorophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide is Cc1nccn1-c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)nn1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide?
The InChIKey is UTQIHTIQYCCFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN5O/c1-9-18-6-7-22(9)14-5-4-13(20-21-14)15(23)19-10-2-3-12(17)11(16)8-10/h2-8H,1H3,(H,19,23).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide has a molecular weight of 331.74 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 71791768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).