N-[1-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]piperidin-4-yl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide

C24H26F4N6O — CID 46203702

IUPACN-[1-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]piperidin-4-yl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1c(-c2ccc(F)cc2)nnc(N2CCC(N(C)C(=O)c3cnn(C)c3C(F)(F)F)CC2)c1C
InChIInChI=1S/C24H26F4N6O/c1-14-15(2)22(31-30-20(14)16-5-7-17(25)8-6-16)34-11-9-18(10-12-34)32(3)23(35)19-13-29-33(4)21(19)24(26,27)28/h5-8,13,18H,9-12H2,1-4H3
InChIKeyOUOFEKKACPVGSL-UHFFFAOYSA-N
MW490.51 g/mol
LogP4.39
Rot. Bonds4

About N-[1-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]piperidin-4-yl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[1-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]piperidin-4-yl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 46203702) has the molecular formula C24H26F4N6O and a molecular weight of 490.51 g/mol. Its IUPAC name is N-[1-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]piperidin-4-yl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]piperidin-4-yl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID46203702
Molecular FormulaC24H26F4N6O
Molecular Weight490.51 g/mol
Exact Mass490.21
IUPAC NameN-[1-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]piperidin-4-yl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1c(-c2ccc(F)cc2)nnc(N2CCC(N(C)C(=O)c3cnn(C)c3C(F)(F)F)CC2)c1C
InChIInChI=1S/C24H26F4N6O/c1-14-15(2)22(31-30-20(14)16-5-7-17(25)8-6-16)34-11-9-18(10-12-34)32(3)23(35)19-13-29-33(4)21(19)24(26,27)28/h5-8,13,18H,9-12H2,1-4H3
InChIKeyOUOFEKKACPVGSL-UHFFFAOYSA-N
XLogP4.39
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.51
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[1-(4,5-dimethyl-6-phenylpyridazin-3-yl)piperidin-4-yl]-N-methylbenzamide
CID 70658290
N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-2-(trifluoromethoxy)benzamide
CID 59627411
N-[1-[6-(4-cyanophenyl)-4,5-dimethylpyridazin-3-yl]piperidin-4-yl]-4,4-difluoro-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 67447996
2-fluoro-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 68780122
1-[6-(4-chlorophenyl)-4,5-dimethylpyridazin-3-yl]piperidine-4-carboxamide
CID 126829585
N-(4-aminocyclohexyl)-N,1,5-trimethylpyrazole-4-carboxamide
CID 79121459
N-cyclopropyl-4-fluoro-N,2-dimethylbenzamide
CID 115745650
2-cyano-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]benzamide
CID 59627396
N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175650857
3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methyl-1-[1-[1-(1H-pyrazol-5-yl)pyrido[3,4-d]pyridazin-4-yl]piperidin-4-yl]urea
CID 162593101
1-(4-chlorophenyl)-N-cyclohexyl-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 11474632
5-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 86721229

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]piperidin-4-yl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[1-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]piperidin-4-yl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 46203702) is N-[1-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]piperidin-4-yl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]piperidin-4-yl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[1-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]piperidin-4-yl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide is Cc1c(-c2ccc(F)cc2)nnc(N2CCC(N(C)C(=O)c3cnn(C)c3C(F)(F)F)CC2)c1C.
What is the InChIKey of N-[1-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]piperidin-4-yl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is OUOFEKKACPVGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F4N6O/c1-14-15(2)22(31-30-20(14)16-5-7-17(25)8-6-16)34-11-9-18(10-12-34)32(3)23(35)19-13-29-33(4)21(19)24(26,27)28/h5-8,13,18H,9-12H2,1-4H3.
What are the key properties of N-[1-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]piperidin-4-yl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[1-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]piperidin-4-yl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 490.51 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]piperidin-4-yl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 46203702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).