N-(4-bromo-3-methylphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide

C23H22BrFN4O2 — CID 53071152

IUPACN-(4-bromo-3-methylphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CCCN(c3ccc(=O)n(-c4cccc(F)c4)n3)C2)ccc1Br
InChIInChI=1S/C23H22BrFN4O2/c1-15-12-18(7-8-20(15)24)26-23(31)16-4-3-11-28(14-16)21-9-10-22(30)29(27-21)19-6-2-5-17(25)13-19/h2,5-10,12-13,16H,3-4,11,14H2,1H3,(H,26,31)
InChIKeySYFUUCMXYRQGAQ-UHFFFAOYSA-N
MW485.36 g/mol
LogP4.30
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide

N-(4-bromo-3-methylphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 53071152) has the molecular formula C23H22BrFN4O2 and a molecular weight of 485.36 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
PubChem CID53071152
Molecular FormulaC23H22BrFN4O2
Molecular Weight485.36 g/mol
Exact Mass484.09
IUPAC NameN-(4-bromo-3-methylphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CCCN(c3ccc(=O)n(-c4cccc(F)c4)n3)C2)ccc1Br
InChIInChI=1S/C23H22BrFN4O2/c1-15-12-18(7-8-20(15)24)26-23(31)16-4-3-11-28(14-16)21-9-10-22(30)29(27-21)19-6-2-5-17(25)13-19/h2,5-10,12-13,16H,3-4,11,14H2,1H3,(H,26,31)
InChIKeySYFUUCMXYRQGAQ-UHFFFAOYSA-N
XLogP4.30
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-bromo-3-methylphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 95069478
(3S)-N-(2,3-dimethylphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
CID 95069440
(3S)-N-(3,4-dimethylphenyl)-1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
CID 95069342
N-(3-chloro-2-methylphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
CID 53071139
(3S)-1-[1-(4-ethylphenyl)-6-oxopyridazin-3-yl]-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 95069239
N-cyclopentyl-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
CID 53071132
1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
CID 53071173
(3S)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 95069461
(3R)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide
CID 95069460
1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 53071059
1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 53071163
N-(4-bromo-3-methylphenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121071302

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide (CID 53071152) is N-(4-bromo-3-methylphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide is Cc1cc(NC(=O)C2CCCN(c3ccc(=O)n(-c4cccc(F)c4)n3)C2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide?
The InChIKey is SYFUUCMXYRQGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrFN4O2/c1-15-12-18(7-8-20(15)24)26-23(31)16-4-3-11-28(14-16)21-9-10-22(30)29(27-21)19-6-2-5-17(25)13-19/h2,5-10,12-13,16H,3-4,11,14H2,1H3,(H,26,31).
What are the key properties of N-(4-bromo-3-methylphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide?
N-(4-bromo-3-methylphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 485.36 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 53071152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).