5-cyclohexyl-7-fluoro-1-methylindazole;3-methoxy-1-pyridazin-3-yl-N-(trifluoromethylsulfanyl)piperidin-4-amine

C25H32F4N6OS — CID 170638736

IUPAC5-cyclohexyl-7-fluoro-1-methylindazole;3-methoxy-1-pyridazin-3-yl-N-(trifluoromethylsulfanyl)piperidin-4-amine
SMILESCOC1CN(c2cccnn2)CCC1NSC(F)(F)F.Cn1ncc2cc(C3CCCCC3)cc(F)c21
InChIInChI=1S/C14H17FN2.C11H15F3N4OS/c1-17-14-12(9-16-17)7-11(8-13(14)15)10-5-3-2-4-6-10;1-19-9-7-18(10-3-2-5-15-16-10)6-4-8(9)17-20-11(12,13)14/h7-10H,2-6H2,1H3;2-3,5,8-9,17H,4,6-7H2,1H3
InChIKeyWJRQSLGTVJXOTC-UHFFFAOYSA-N
MW540.63 g/mol
LogP5.59
Rot. Bonds5

About 5-cyclohexyl-7-fluoro-1-methylindazole;3-methoxy-1-pyridazin-3-yl-N-(trifluoromethylsulfanyl)piperidin-4-amine

5-cyclohexyl-7-fluoro-1-methylindazole;3-methoxy-1-pyridazin-3-yl-N-(trifluoromethylsulfanyl)piperidin-4-amine (PubChem CID 170638736) has the molecular formula C25H32F4N6OS and a molecular weight of 540.63 g/mol. Its IUPAC name is 5-cyclohexyl-7-fluoro-1-methylindazole;3-methoxy-1-pyridazin-3-yl-N-(trifluoromethylsulfanyl)piperidin-4-amine.

Molecular Properties

Compound Name5-cyclohexyl-7-fluoro-1-methylindazole;3-methoxy-1-pyridazin-3-yl-N-(trifluoromethylsulfanyl)piperidin-4-amine
PubChem CID170638736
Molecular FormulaC25H32F4N6OS
Molecular Weight540.63 g/mol
Exact Mass540.23
IUPAC Name5-cyclohexyl-7-fluoro-1-methylindazole;3-methoxy-1-pyridazin-3-yl-N-(trifluoromethylsulfanyl)piperidin-4-amine
SMILESCOC1CN(c2cccnn2)CCC1NSC(F)(F)F.Cn1ncc2cc(C3CCCCC3)cc(F)c21
InChIInChI=1S/C14H17FN2.C11H15F3N4OS/c1-17-14-12(9-16-17)7-11(8-13(14)15)10-5-3-2-4-6-10;1-19-9-7-18(10-3-2-5-15-16-10)6-4-8(9)17-20-11(12,13)14/h7-10H,2-6H2,1H3;2-3,5,8-9,17H,4,6-7H2,1H3
InChIKeyWJRQSLGTVJXOTC-UHFFFAOYSA-N
XLogP5.59
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.63
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,1,1-trifluoro-N-[(3R,4S)-3-[[4-(7-fluoro-1-methylindazol-5-yl)cyclohexyl]oxymethyl]-1-pyridazin-3-ylpiperidin-4-yl]methanesulfonamide
CID 170638630
(3R,4S)-3-[2-[4-(1-methylindazol-5-yl)cyclohexyl]ethoxymethyl]-1-pyridazin-3-ylpiperidin-4-amine
CID 170638499
(3R)-N-methyl-1-pyridazin-3-ylpyrrolidin-3-amine
CID 177337485
N-[(3R,4S)-3-[[4-(3-fluorophenyl)cyclohexyl]methoxy]-1-pyridazin-3-ylpiperidin-4-yl]pyrrolidine-1-sulfonamide
CID 176822178
3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]-N-[(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)sulfanyl]-1-pyridazin-3-ylpiperidin-4-amine
CID 170638331
3-[(3R,4S)-4-(diethylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]methoxy]piperidin-1-yl]pyridazine
CID 176822177
(3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544993
3-(dimethylamino)-N-[(3R,4S)-3-[[4-(3-fluorophenyl)cyclohexyl]methoxy]-1-pyridazin-3-ylpiperidin-4-yl]azetidine-1-sulfonamide
CID 176822217
N-cyclobutylsulfanyl-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]-1-pyridazin-3-ylpiperidin-4-amine;ethane;N-[3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]-1-pyridazin-3-ylpiperidin-4-yl]ethanesulfinamide
CID 170638415
(4S)-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]-N-(methylsulfamoyl)-1-pyridazin-3-ylpiperidin-4-amine
CID 176822259
3-[(3R,4S)-4-(dipropylsulfamoylamino)-3-[[4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-1-yl]pyridazine
CID 170638388
(3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545142

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-7-fluoro-1-methylindazole;3-methoxy-1-pyridazin-3-yl-N-(trifluoromethylsulfanyl)piperidin-4-amine?
The IUPAC name of 5-cyclohexyl-7-fluoro-1-methylindazole;3-methoxy-1-pyridazin-3-yl-N-(trifluoromethylsulfanyl)piperidin-4-amine (CID 170638736) is 5-cyclohexyl-7-fluoro-1-methylindazole;3-methoxy-1-pyridazin-3-yl-N-(trifluoromethylsulfanyl)piperidin-4-amine.
What is the SMILES notation for 5-cyclohexyl-7-fluoro-1-methylindazole;3-methoxy-1-pyridazin-3-yl-N-(trifluoromethylsulfanyl)piperidin-4-amine?
The canonical SMILES for 5-cyclohexyl-7-fluoro-1-methylindazole;3-methoxy-1-pyridazin-3-yl-N-(trifluoromethylsulfanyl)piperidin-4-amine is COC1CN(c2cccnn2)CCC1NSC(F)(F)F.Cn1ncc2cc(C3CCCCC3)cc(F)c21.
What is the InChIKey of 5-cyclohexyl-7-fluoro-1-methylindazole;3-methoxy-1-pyridazin-3-yl-N-(trifluoromethylsulfanyl)piperidin-4-amine?
The InChIKey is WJRQSLGTVJXOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2.C11H15F3N4OS/c1-17-14-12(9-16-17)7-11(8-13(14)15)10-5-3-2-4-6-10;1-19-9-7-18(10-3-2-5-15-16-10)6-4-8(9)17-20-11(12,13)14/h7-10H,2-6H2,1H3;2-3,5,8-9,17H,4,6-7H2,1H3.
What are the key properties of 5-cyclohexyl-7-fluoro-1-methylindazole;3-methoxy-1-pyridazin-3-yl-N-(trifluoromethylsulfanyl)piperidin-4-amine?
5-cyclohexyl-7-fluoro-1-methylindazole;3-methoxy-1-pyridazin-3-yl-N-(trifluoromethylsulfanyl)piperidin-4-amine has a molecular weight of 540.63 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-7-fluoro-1-methylindazole;3-methoxy-1-pyridazin-3-yl-N-(trifluoromethylsulfanyl)piperidin-4-amine is sourced from PubChem (CID 170638736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).