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

C21H21F3N4O2 — CID 158482410

IUPAC2-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCOc1cc2nn(C3CCNCC3)cc2cc1CC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C21H21F3N4O2/c1-30-19-11-17-14(12-28(27-17)15-5-7-25-8-6-15)9-13(19)10-18(29)16-3-2-4-20(26-16)21(22,23)24/h2-4,9,11-12,15,25H,5-8,10H2,1H3
InChIKeyHHRGFDWTGKQYQK-UHFFFAOYSA-N
MW418.42 g/mol
LogP3.81
Rot. Bonds5

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

2-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 158482410) has the molecular formula C21H21F3N4O2 and a molecular weight of 418.42 g/mol. Its IUPAC name is 2-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID158482410
Molecular FormulaC21H21F3N4O2
Molecular Weight418.42 g/mol
Exact Mass418.16
IUPAC Name2-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCOc1cc2nn(C3CCNCC3)cc2cc1CC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C21H21F3N4O2/c1-30-19-11-17-14(12-28(27-17)15-5-7-25-8-6-15)9-13(19)10-18(29)16-3-2-4-20(26-16)21(22,23)24/h2-4,9,11-12,15,25H,5-8,10H2,1H3
InChIKeyHHRGFDWTGKQYQK-UHFFFAOYSA-N
XLogP3.81
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-methoxy-2-[1-(oxetan-3-yl)piperidin-4-yl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 147444182
N-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
CID 175973046
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
N-[6-(2-methoxyethoxy)-2-piperidin-4-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 163769872
3-[6-methoxy-5-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]indazol-2-yl]-2-methylpropanoic acid
CID 147566197
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
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
2-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]-1-(6-morpholin-4-yl-2-pyridinyl)ethanone
CID 161198224
N-[6-(2-hydroxypropan-2-yl)-2-piperidin-4-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 137377537
6-(2-fluoropropan-2-yl)-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide
CID 155438263
methyl 3-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclobutane-1-carboxylate
CID 154970408

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 2-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (CID 158482410) is 2-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 2-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 2-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is COc1cc2nn(C3CCNCC3)cc2cc1CC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is HHRGFDWTGKQYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O2/c1-30-19-11-17-14(12-28(27-17)15-5-7-25-8-6-15)9-13(19)10-18(29)16-3-2-4-20(26-16)21(22,23)24/h2-4,9,11-12,15,25H,5-8,10H2,1H3.
What are the key properties of 2-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
2-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 418.42 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 158482410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).