6-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridazin-3-amine

C23H25FN4 — CID 108775540

IUPAC6-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridazin-3-amine
SMILESCC1CCN(Cc2ccc(Nc3ccc(-c4ccc(F)cc4)nn3)cc2)CC1
InChIInChI=1S/C23H25FN4/c1-17-12-14-28(15-13-17)16-18-2-8-21(9-3-18)25-23-11-10-22(26-27-23)19-4-6-20(24)7-5-19/h2-11,17H,12-16H2,1H3,(H,25,27)
InChIKeyZYNQRYLWXVTOER-UHFFFAOYSA-N
MW376.48 g/mol
LogP5.26
Rot. Bonds5

About 6-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridazin-3-amine

6-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridazin-3-amine (PubChem CID 108775540) has the molecular formula C23H25FN4 and a molecular weight of 376.48 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridazin-3-amine
PubChem CID108775540
Molecular FormulaC23H25FN4
Molecular Weight376.48 g/mol
Exact Mass376.21
IUPAC Name6-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridazin-3-amine
SMILESCC1CCN(Cc2ccc(Nc3ccc(-c4ccc(F)cc4)nn3)cc2)CC1
InChIInChI=1S/C23H25FN4/c1-17-12-14-28(15-13-17)16-18-2-8-21(9-3-18)25-23-11-10-22(26-27-23)19-4-6-20(24)7-5-19/h2-11,17H,12-16H2,1H3,(H,25,27)
InChIKeyZYNQRYLWXVTOER-UHFFFAOYSA-N
XLogP5.26
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(4-fluorophenyl)pyridazin-3-amine
CID 10949178
N'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide
CID 108760674
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850
4-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine
CID 3244608
N-methyl-4-[(4-methylpiperidin-1-yl)methyl]aniline
CID 83960897
N-[(3-fluorophenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]aniline
CID 83960926
N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-[(4-methylpiperidin-1-yl)methyl]aniline
CID 46951838
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylpiperidine-1-sulfonamide
CID 51121961
N-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 7346266
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-methylcyclohexyl)urea
CID 87034548
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 94024334
N,N-diethyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 168961754

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridazin-3-amine?
The IUPAC name of 6-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridazin-3-amine (CID 108775540) is 6-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridazin-3-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridazin-3-amine?
The canonical SMILES for 6-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridazin-3-amine is CC1CCN(Cc2ccc(Nc3ccc(-c4ccc(F)cc4)nn3)cc2)CC1.
What is the InChIKey of 6-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridazin-3-amine?
The InChIKey is ZYNQRYLWXVTOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4/c1-17-12-14-28(15-13-17)16-18-2-8-21(9-3-18)25-23-11-10-22(26-27-23)19-4-6-20(24)7-5-19/h2-11,17H,12-16H2,1H3,(H,25,27).
What are the key properties of 6-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridazin-3-amine?
6-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridazin-3-amine has a molecular weight of 376.48 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pyridazin-3-amine is sourced from PubChem (CID 108775540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).