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

C26H24F3N5O2 — CID 148748797

IUPAC2-[2-[2-oxo-2-(4-pyrrol-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1ccc2nn(CC(=O)N3CCC(n4cccc4)CC3)cc2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C26H24F3N5O2/c27-26(28,29)24-5-3-4-22(30-24)23(35)15-18-6-7-21-19(14-18)16-34(31-21)17-25(36)33-12-8-20(9-13-33)32-10-1-2-11-32/h1-7,10-11,14,16,20H,8-9,12-13,15,17H2
InChIKeyOEGVUADZQAULTG-UHFFFAOYSA-N
MW495.51 g/mol
LogP4.54
Rot. Bonds6

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

2-[2-[2-oxo-2-(4-pyrrol-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 148748797) has the molecular formula C26H24F3N5O2 and a molecular weight of 495.51 g/mol. Its IUPAC name is 2-[2-[2-oxo-2-(4-pyrrol-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[2-[2-oxo-2-(4-pyrrol-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID148748797
Molecular FormulaC26H24F3N5O2
Molecular Weight495.51 g/mol
Exact Mass495.19
IUPAC Name2-[2-[2-oxo-2-(4-pyrrol-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1ccc2nn(CC(=O)N3CCC(n4cccc4)CC3)cc2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C26H24F3N5O2/c27-26(28,29)24-5-3-4-22(30-24)23(35)15-18-6-7-21-19(14-18)16-34(31-21)17-25(36)33-12-8-20(9-13-33)32-10-1-2-11-32/h1-7,10-11,14,16,20H,8-9,12-13,15,17H2
InChIKeyOEGVUADZQAULTG-UHFFFAOYSA-N
XLogP4.54
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.51
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 159456720
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
N-[2-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118173128
2-[2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-6-ethoxyindazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 161363503
N-[2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 122637050
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
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-(but-3-enylamino)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 144865193
N-[2-[2-[4-(but-3-enylamino)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen
CID 144865192
1-[6-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]ethanone
CID 158932992

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-oxo-2-(4-pyrrol-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 2-[2-[2-oxo-2-(4-pyrrol-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (CID 148748797) is 2-[2-[2-oxo-2-(4-pyrrol-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 2-[2-[2-oxo-2-(4-pyrrol-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 2-[2-[2-oxo-2-(4-pyrrol-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is O=C(Cc1ccc2nn(CC(=O)N3CCC(n4cccc4)CC3)cc2c1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-[2-[2-oxo-2-(4-pyrrol-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is OEGVUADZQAULTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O2/c27-26(28,29)24-5-3-4-22(30-24)23(35)15-18-6-7-21-19(14-18)16-34(31-21)17-25(36)33-12-8-20(9-13-33)32-10-1-2-11-32/h1-7,10-11,14,16,20H,8-9,12-13,15,17H2.
What are the key properties of 2-[2-[2-oxo-2-(4-pyrrol-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
2-[2-[2-oxo-2-(4-pyrrol-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 495.51 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-oxo-2-(4-pyrrol-1-ylpiperidin-1-yl)ethyl]indazol-5-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 148748797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).