6-[4-[4-fluoro-2-(trifluoromethyl)anilino]piperidin-1-yl]pyridazine-3-carboxylic acid

C17H16F4N4O2 — CID 67172833

IUPAC6-[4-[4-fluoro-2-(trifluoromethyl)anilino]piperidin-1-yl]pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCC(Nc3ccc(F)cc3C(F)(F)F)CC2)nn1
InChIInChI=1S/C17H16F4N4O2/c18-10-1-2-13(12(9-10)17(19,20)21)22-11-5-7-25(8-6-11)15-4-3-14(16(26)27)23-24-15/h1-4,9,11,22H,5-8H2,(H,26,27)
InChIKeyRTLICPHPLWUCDI-UHFFFAOYSA-N
MW384.33 g/mol
LogP3.41
Rot. Bonds4

About 6-[4-[4-fluoro-2-(trifluoromethyl)anilino]piperidin-1-yl]pyridazine-3-carboxylic acid

6-[4-[4-fluoro-2-(trifluoromethyl)anilino]piperidin-1-yl]pyridazine-3-carboxylic acid (PubChem CID 67172833) has the molecular formula C17H16F4N4O2 and a molecular weight of 384.33 g/mol. Its IUPAC name is 6-[4-[4-fluoro-2-(trifluoromethyl)anilino]piperidin-1-yl]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-[4-fluoro-2-(trifluoromethyl)anilino]piperidin-1-yl]pyridazine-3-carboxylic acid
PubChem CID67172833
Molecular FormulaC17H16F4N4O2
Molecular Weight384.33 g/mol
Exact Mass384.12
IUPAC Name6-[4-[4-fluoro-2-(trifluoromethyl)anilino]piperidin-1-yl]pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCC(Nc3ccc(F)cc3C(F)(F)F)CC2)nn1
InChIInChI=1S/C17H16F4N4O2/c18-10-1-2-13(12(9-10)17(19,20)21)22-11-5-7-25(8-6-11)15-4-3-14(16(26)27)23-24-15/h1-4,9,11,22H,5-8H2,(H,26,27)
InChIKeyRTLICPHPLWUCDI-UHFFFAOYSA-N
XLogP3.41
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.33
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid
CID 67172654
6-[4-[2-(trifluoromethyl)benzoyl]piperidin-1-yl]pyridazine-3-carboxylic acid
CID 67172316
N-(2-cyclobutylethyl)-6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 11294562
6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid
CID 20982966
6-(4-aminopiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61402767
4-[[4-fluoro-2-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122079192
6-chloropyridazine-3-carboxylic acid;6-[4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 159973210
(2R)-2,5-diamino-5-oxo-2-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carbonyl]pentanoic acid
CID 151166475
[(Z)-1-[4-[4-[4-fluoro-2-(trifluoromethyl)anilino]piperidin-1-yl]phthalazin-1-yl]-3-iminoprop-1-enyl]-methylazanium
CID 144749776
6-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]pyridazine-3-carboxylic acid
CID 66850025
N-[1-[6-(azepan-1-yl)pyridazin-3-yl]piperidin-4-yl]-2-chloro-5-fluorobenzamide
CID 50845661
[6-[4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl] N-(3-cyclopropylpropyl)carbamate
CID 67420744

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-fluoro-2-(trifluoromethyl)anilino]piperidin-1-yl]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[4-[4-fluoro-2-(trifluoromethyl)anilino]piperidin-1-yl]pyridazine-3-carboxylic acid (CID 67172833) is 6-[4-[4-fluoro-2-(trifluoromethyl)anilino]piperidin-1-yl]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[4-[4-fluoro-2-(trifluoromethyl)anilino]piperidin-1-yl]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[4-[4-fluoro-2-(trifluoromethyl)anilino]piperidin-1-yl]pyridazine-3-carboxylic acid is O=C(O)c1ccc(N2CCC(Nc3ccc(F)cc3C(F)(F)F)CC2)nn1.
What is the InChIKey of 6-[4-[4-fluoro-2-(trifluoromethyl)anilino]piperidin-1-yl]pyridazine-3-carboxylic acid?
The InChIKey is RTLICPHPLWUCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N4O2/c18-10-1-2-13(12(9-10)17(19,20)21)22-11-5-7-25(8-6-11)15-4-3-14(16(26)27)23-24-15/h1-4,9,11,22H,5-8H2,(H,26,27).
What are the key properties of 6-[4-[4-fluoro-2-(trifluoromethyl)anilino]piperidin-1-yl]pyridazine-3-carboxylic acid?
6-[4-[4-fluoro-2-(trifluoromethyl)anilino]piperidin-1-yl]pyridazine-3-carboxylic acid has a molecular weight of 384.33 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-fluoro-2-(trifluoromethyl)anilino]piperidin-1-yl]pyridazine-3-carboxylic acid is sourced from PubChem (CID 67172833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).