6-chloro-N-[[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine

C18H19ClF4N4 — CID 91538789

IUPAC6-chloro-N-[[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine
SMILESFc1ccc(CN2CCC(CNc3ccc(Cl)nn3)CC2)cc1C(F)(F)F
InChIInChI=1S/C18H19ClF4N4/c19-16-3-4-17(26-25-16)24-10-12-5-7-27(8-6-12)11-13-1-2-15(20)14(9-13)18(21,22)23/h1-4,9,12H,5-8,10-11H2,(H,24,26)
InChIKeyBTUDSYPFNXTHAJ-UHFFFAOYSA-N
MW402.82 g/mol
LogP4.61
Rot. Bonds5

About 6-chloro-N-[[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine

6-chloro-N-[[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine (PubChem CID 91538789) has the molecular formula C18H19ClF4N4 and a molecular weight of 402.82 g/mol. Its IUPAC name is 6-chloro-N-[[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine
PubChem CID91538789
Molecular FormulaC18H19ClF4N4
Molecular Weight402.82 g/mol
Exact Mass402.12
IUPAC Name6-chloro-N-[[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine
SMILESFc1ccc(CN2CCC(CNc3ccc(Cl)nn3)CC2)cc1C(F)(F)F
InChIInChI=1S/C18H19ClF4N4/c19-16-3-4-17(26-25-16)24-10-12-5-7-27(8-6-12)11-13-1-2-15(20)14(9-13)18(21,22)23/h1-4,9,12H,5-8,10-11H2,(H,24,26)
InChIKeyBTUDSYPFNXTHAJ-UHFFFAOYSA-N
XLogP4.61
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.82
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-[[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine 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

N-[[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-chloropyridazin-3-amine
CID 90802730
6-(trifluoromethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine
CID 91045061
6-chloro-N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]pyridazin-3-amine
CID 91536558
6-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridazin-3-amine
CID 59805852
6-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridazin-3-amine
CID 60856462
4-[[(6-chloropyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid
CID 91243111
2-[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-N-methylacetamide
CID 131942096
N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 508771
6-chloro-N-[(1-methylazetidin-3-yl)methyl]pyridazin-3-amine
CID 131048743
N-[[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62592584
N-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 82919208
1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-methylpiperazine
CID 80505562

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine?
The IUPAC name of 6-chloro-N-[[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine (CID 91538789) is 6-chloro-N-[[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine is Fc1ccc(CN2CCC(CNc3ccc(Cl)nn3)CC2)cc1C(F)(F)F.
What is the InChIKey of 6-chloro-N-[[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine?
The InChIKey is BTUDSYPFNXTHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF4N4/c19-16-3-4-17(26-25-16)24-10-12-5-7-27(8-6-12)11-13-1-2-15(20)14(9-13)18(21,22)23/h1-4,9,12H,5-8,10-11H2,(H,24,26).
What are the key properties of 6-chloro-N-[[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine?
6-chloro-N-[[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine has a molecular weight of 402.82 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine is sourced from PubChem (CID 91538789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).