6-(4-chlorophenyl)-2-(3-fluorophenyl)-3-oxopyridazine-4-carboxamide;cyclopentane

C22H21ClFN3O2 — CID 145407254

IUPAC6-(4-chlorophenyl)-2-(3-fluorophenyl)-3-oxopyridazine-4-carboxamide;cyclopentane
SMILESC1CCCC1.NC(=O)c1cc(-c2ccc(Cl)cc2)nn(-c2cccc(F)c2)c1=O
InChIInChI=1S/C17H11ClFN3O2.C5H10/c18-11-6-4-10(5-7-11)15-9-14(16(20)23)17(24)22(21-15)13-3-1-2-12(19)8-13;1-2-4-5-3-1/h1-9H,(H2,20,23);1-5H2
InChIKeyNIBRLXCSLVGUSF-UHFFFAOYSA-N
MW413.88 g/mol
LogP4.74
Rot. Bonds3

About 6-(4-chlorophenyl)-2-(3-fluorophenyl)-3-oxopyridazine-4-carboxamide;cyclopentane

6-(4-chlorophenyl)-2-(3-fluorophenyl)-3-oxopyridazine-4-carboxamide;cyclopentane (PubChem CID 145407254) has the molecular formula C22H21ClFN3O2 and a molecular weight of 413.88 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-(3-fluorophenyl)-3-oxopyridazine-4-carboxamide;cyclopentane.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-(3-fluorophenyl)-3-oxopyridazine-4-carboxamide;cyclopentane
PubChem CID145407254
Molecular FormulaC22H21ClFN3O2
Molecular Weight413.88 g/mol
Exact Mass413.13
IUPAC Name6-(4-chlorophenyl)-2-(3-fluorophenyl)-3-oxopyridazine-4-carboxamide;cyclopentane
SMILESC1CCCC1.NC(=O)c1cc(-c2ccc(Cl)cc2)nn(-c2cccc(F)c2)c1=O
InChIInChI=1S/C17H11ClFN3O2.C5H10/c18-11-6-4-10(5-7-11)15-9-14(16(20)23)17(24)22(21-15)13-3-1-2-12(19)8-13;1-2-4-5-3-1/h1-9H,(H2,20,23);1-5H2
InChIKeyNIBRLXCSLVGUSF-UHFFFAOYSA-N
XLogP4.74
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.88
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-(3-fluorophenyl)-3-oxopyridazine-4-carboxamide;cyclopentane?
The IUPAC name of 6-(4-chlorophenyl)-2-(3-fluorophenyl)-3-oxopyridazine-4-carboxamide;cyclopentane (CID 145407254) is 6-(4-chlorophenyl)-2-(3-fluorophenyl)-3-oxopyridazine-4-carboxamide;cyclopentane.
What is the SMILES notation for 6-(4-chlorophenyl)-2-(3-fluorophenyl)-3-oxopyridazine-4-carboxamide;cyclopentane?
The canonical SMILES for 6-(4-chlorophenyl)-2-(3-fluorophenyl)-3-oxopyridazine-4-carboxamide;cyclopentane is C1CCCC1.NC(=O)c1cc(-c2ccc(Cl)cc2)nn(-c2cccc(F)c2)c1=O.
What is the InChIKey of 6-(4-chlorophenyl)-2-(3-fluorophenyl)-3-oxopyridazine-4-carboxamide;cyclopentane?
The InChIKey is NIBRLXCSLVGUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3O2.C5H10/c18-11-6-4-10(5-7-11)15-9-14(16(20)23)17(24)22(21-15)13-3-1-2-12(19)8-13;1-2-4-5-3-1/h1-9H,(H2,20,23);1-5H2.
What are the key properties of 6-(4-chlorophenyl)-2-(3-fluorophenyl)-3-oxopyridazine-4-carboxamide;cyclopentane?
6-(4-chlorophenyl)-2-(3-fluorophenyl)-3-oxopyridazine-4-carboxamide;cyclopentane has a molecular weight of 413.88 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-(3-fluorophenyl)-3-oxopyridazine-4-carboxamide;cyclopentane is sourced from PubChem (CID 145407254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).