N-[[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-chloropyridazin-3-amine

C17H19BrClFN4 — CID 90802730

IUPACN-[[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-chloropyridazin-3-amine
SMILESFc1ccc(CN2CCC(CNc3ccc(Cl)nn3)CC2)cc1Br
InChIInChI=1S/C17H19BrClFN4/c18-14-9-13(1-2-15(14)20)11-24-7-5-12(6-8-24)10-21-17-4-3-16(19)22-23-17/h1-4,9,12H,5-8,10-11H2,(H,21,23)
InChIKeyHUCDVPWSEFKJQQ-UHFFFAOYSA-N
MW413.72 g/mol
LogP4.36
Rot. Bonds5

About N-[[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-chloropyridazin-3-amine

N-[[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-chloropyridazin-3-amine (PubChem CID 90802730) has the molecular formula C17H19BrClFN4 and a molecular weight of 413.72 g/mol. Its IUPAC name is N-[[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-chloropyridazin-3-amine.

Molecular Properties

Compound NameN-[[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-chloropyridazin-3-amine
PubChem CID90802730
Molecular FormulaC17H19BrClFN4
Molecular Weight413.72 g/mol
Exact Mass412.05
IUPAC NameN-[[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-chloropyridazin-3-amine
SMILESFc1ccc(CN2CCC(CNc3ccc(Cl)nn3)CC2)cc1Br
InChIInChI=1S/C17H19BrClFN4/c18-14-9-13(1-2-15(14)20)11-24-7-5-12(6-8-24)10-21-17-4-3-16(19)22-23-17/h1-4,9,12H,5-8,10-11H2,(H,21,23)
InChIKeyHUCDVPWSEFKJQQ-UHFFFAOYSA-N
XLogP4.36
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.72
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-chloropyridazin-3-amine with MolForge

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Related Compounds

6-chloro-N-[[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine
CID 91538789
N-[[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62592584
1-[(3-bromo-4-fluorophenyl)methyl]-4-propylpiperidine
CID 63458840
6-chloro-N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]pyridazin-3-amine
CID 91536558
1-[(3-bromo-4-fluorophenyl)methyl]-3-(chloromethyl)pyrrolidine
CID 63388237
6-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridazin-3-amine
CID 59805852
1-[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 54986177
6-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridazin-3-amine
CID 60856462
[1-[(3-bromo-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119917749
1-[1-[(4-bromo-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 81437105
4-[[(6-chloropyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid
CID 91243111
1-[(3-bromo-4-fluorophenyl)methyl]-N'-hydroxypiperidine-4-carboximidamide
CID 77039195

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-chloropyridazin-3-amine?
The IUPAC name of N-[[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-chloropyridazin-3-amine (CID 90802730) is N-[[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-chloropyridazin-3-amine.
What is the SMILES notation for N-[[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-chloropyridazin-3-amine?
The canonical SMILES for N-[[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-chloropyridazin-3-amine is Fc1ccc(CN2CCC(CNc3ccc(Cl)nn3)CC2)cc1Br.
What is the InChIKey of N-[[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-chloropyridazin-3-amine?
The InChIKey is HUCDVPWSEFKJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClFN4/c18-14-9-13(1-2-15(14)20)11-24-7-5-12(6-8-24)10-21-17-4-3-16(19)22-23-17/h1-4,9,12H,5-8,10-11H2,(H,21,23).
What are the key properties of N-[[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-chloropyridazin-3-amine?
N-[[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-chloropyridazin-3-amine has a molecular weight of 413.72 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-chloropyridazin-3-amine is sourced from PubChem (CID 90802730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).