2-[6-methoxy-2-[1-(oxetan-3-yl)piperidin-4-yl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone

C24H25F3N4O3 — CID 147444182

IUPAC2-[6-methoxy-2-[1-(oxetan-3-yl)piperidin-4-yl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCOc1cc2nn(C3CCN(C4COC4)CC3)cc2cc1CC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C24H25F3N4O3/c1-33-22-11-20-16(12-31(29-20)17-5-7-30(8-6-17)18-13-34-14-18)9-15(22)10-21(32)19-3-2-4-23(28-19)24(25,26)27/h2-4,9,11-12,17-18H,5-8,10,13-14H2,1H3
InChIKeyDWUHZSJNILLFMH-UHFFFAOYSA-N
MW474.48 g/mol
LogP3.92
Rot. Bonds6

About 2-[6-methoxy-2-[1-(oxetan-3-yl)piperidin-4-yl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone

2-[6-methoxy-2-[1-(oxetan-3-yl)piperidin-4-yl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 147444182) has the molecular formula C24H25F3N4O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is 2-[6-methoxy-2-[1-(oxetan-3-yl)piperidin-4-yl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[6-methoxy-2-[1-(oxetan-3-yl)piperidin-4-yl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID147444182
Molecular FormulaC24H25F3N4O3
Molecular Weight474.48 g/mol
Exact Mass474.19
IUPAC Name2-[6-methoxy-2-[1-(oxetan-3-yl)piperidin-4-yl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCOc1cc2nn(C3CCN(C4COC4)CC3)cc2cc1CC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C24H25F3N4O3/c1-33-22-11-20-16(12-31(29-20)17-5-7-30(8-6-17)18-13-34-14-18)9-15(22)10-21(32)19-3-2-4-23(28-19)24(25,26)27/h2-4,9,11-12,17-18H,5-8,10,13-14H2,1H3
InChIKeyDWUHZSJNILLFMH-UHFFFAOYSA-N
XLogP3.92
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 158482410
2-[2-[(1S,4S,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-6-methoxyindazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 161138298
2-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]-1-(6-morpholin-4-yl-2-pyridinyl)ethanone
CID 161198224
2-[2-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methoxyindazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 158362016
3-[6-methoxy-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-2-yl]-2-methylpropanoic acid
CID 147566197
N-[2-[4-[(dimethylamino)methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 163814713
N-[2-(4-aminocyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 162721665
N-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
CID 175973046
methyl 3-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclobutane-1-carboxylate
CID 154970408
N-(2-cyclohexyl-6-ethoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155752149
methyl 2-[(3S)-oxolan-3-yl]-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylate
CID 137377480
2-[2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-6-ethoxyindazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 161363503

Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-2-[1-(oxetan-3-yl)piperidin-4-yl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 2-[6-methoxy-2-[1-(oxetan-3-yl)piperidin-4-yl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (CID 147444182) is 2-[6-methoxy-2-[1-(oxetan-3-yl)piperidin-4-yl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 2-[6-methoxy-2-[1-(oxetan-3-yl)piperidin-4-yl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 2-[6-methoxy-2-[1-(oxetan-3-yl)piperidin-4-yl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is COc1cc2nn(C3CCN(C4COC4)CC3)cc2cc1CC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-[6-methoxy-2-[1-(oxetan-3-yl)piperidin-4-yl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is DWUHZSJNILLFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O3/c1-33-22-11-20-16(12-31(29-20)17-5-7-30(8-6-17)18-13-34-14-18)9-15(22)10-21(32)19-3-2-4-23(28-19)24(25,26)27/h2-4,9,11-12,17-18H,5-8,10,13-14H2,1H3.
What are the key properties of 2-[6-methoxy-2-[1-(oxetan-3-yl)piperidin-4-yl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
2-[6-methoxy-2-[1-(oxetan-3-yl)piperidin-4-yl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 474.48 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methoxy-2-[1-(oxetan-3-yl)piperidin-4-yl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 147444182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).