2-[2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone

C26H23F3N6O2 — CID 159456720

IUPAC2-[2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1ccc2nn(CC(=O)N3CCN(c4ccncc4)CC3)cc2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C26H23F3N6O2/c27-26(28,29)24-3-1-2-22(31-24)23(36)15-18-4-5-21-19(14-18)16-35(32-21)17-25(37)34-12-10-33(11-13-34)20-6-8-30-9-7-20/h1-9,14,16H,10-13,15,17H2
InChIKeyLUBKDMNDEZFGGW-UHFFFAOYSA-N
MW508.50 g/mol
LogP3.62
Rot. Bonds6

About 2-[2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone

2-[2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 159456720) has the molecular formula C26H23F3N6O2 and a molecular weight of 508.50 g/mol. Its IUPAC name is 2-[2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID159456720
Molecular FormulaC26H23F3N6O2
Molecular Weight508.50 g/mol
Exact Mass508.18
IUPAC Name2-[2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1ccc2nn(CC(=O)N3CCN(c4ccncc4)CC3)cc2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C26H23F3N6O2/c27-26(28,29)24-3-1-2-22(31-24)23(36)15-18-4-5-21-19(14-18)16-35(32-21)17-25(37)34-12-10-33(11-13-34)20-6-8-30-9-7-20/h1-9,14,16H,10-13,15,17H2
InChIKeyLUBKDMNDEZFGGW-UHFFFAOYSA-N
XLogP3.62
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.50
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[2-oxo-2-(4-pyrrol-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 148748797
2-[2-[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-oxoethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 157418877
2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-(trifluoromethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 147912054
2-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone
CID 161200591
N-[2-(2-oxo-2-thiomorpholin-4-ylethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118172980
N-[2-[2-[4-(2-methoxyacetyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118172961
N-[2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 122637050
1-[6-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]ethanone
CID 158932992
N-[2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118182657
2-[2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-6-ethoxyindazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 161363503
2-[2-(2-morpholin-4-yl-2-oxoethyl)-6-(2-pyrrolidin-1-ylethoxy)indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 157346296
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 2-[2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (CID 159456720) is 2-[2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 2-[2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 2-[2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is O=C(Cc1ccc2nn(CC(=O)N3CCN(c4ccncc4)CC3)cc2c1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-[2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is LUBKDMNDEZFGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N6O2/c27-26(28,29)24-3-1-2-22(31-24)23(36)15-18-4-5-21-19(14-18)16-35(32-21)17-25(37)34-12-10-33(11-13-34)20-6-8-30-9-7-20/h1-9,14,16H,10-13,15,17H2.
What are the key properties of 2-[2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
2-[2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 508.50 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 159456720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).