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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Related Compounds

6-(4-chlorophenyl)-2-(3-fluorophenyl)-3-oxo-N-[(3S)-2-oxoazepan-3-yl]pyridazine-4-carboxamide
CID 167518051
6-(4-chlorophenyl)-2-(3-fluorophenyl)-N-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]-3-oxopyridazine-4-carboxamide
CID 138634063
6-(4-chlorophenyl)-2-(3-fluorophenyl)-4-[4-(methylsulfonimidoyl)butanoyl]pyridazin-3-one
CID 158074896
6-(4-chlorophenyl)-2-(3-fluorophenyl)-3-oxo-N-(5-oxo-1,4-diazepan-6-yl)pyridazine-4-carboxamide
CID 167518016
6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide;oxane
CID 142411209
6-(4-chloro-3-fluorophenyl)-2-(3-fluorophenyl)-4-(4-hydroxy-3-methylpentanoyl)pyridazin-3-one
CID 158568894
6-(4-chlorophenyl)-2-(3,5-difluorophenyl)-3-oxo-N-[(2S)-1,3,3-trifluoro-2-hydroxypropyl]pyridazine-4-carboxamide
CID 175383176
2-(3-fluorophenyl)-6-(4-methoxyphenyl)-3-oxo-N-(1,1,3-trifluoro-3-hydroxypropan-2-yl)pyridazine-4-carboxamide
CID 175383128
cyclohexane;6-[6-(difluoromethyl)-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 142411144
2-(3-fluorophenyl)-N-[2-hydroxy-1-[(2R)-oxolan-2-yl]ethyl]-3-oxo-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide
CID 155012268
3-oxo-2-pyridin-3-yl-6-[4-(trifluoromethoxy)phenyl]pyridazine-4-carboxamide
CID 142411072
3-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]benzoic acid
CID 24786705

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).