2-(1-propan-2-ylindazol-5-yl)-1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]ethanone

C25H26F3N3O2 — CID 58578217

IUPAC2-(1-propan-2-ylindazol-5-yl)-1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]ethanone
SMILESCC(C)n1ncc2cc(CC(=O)C3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)ccc21
InChIInChI=1S/C25H26F3N3O2/c1-16(2)31-22-8-7-17(13-19(22)15-29-31)14-23(32)18-9-11-30(12-10-18)24(33)20-5-3-4-6-21(20)25(26,27)28/h3-8,13,15-16,18H,9-12,14H2,1-2H3
InChIKeyBOPSLPRPCYVCEO-UHFFFAOYSA-N
MW457.50 g/mol
LogP5.30
Rot. Bonds5

About 2-(1-propan-2-ylindazol-5-yl)-1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]ethanone

2-(1-propan-2-ylindazol-5-yl)-1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]ethanone (PubChem CID 58578217) has the molecular formula C25H26F3N3O2 and a molecular weight of 457.50 g/mol. Its IUPAC name is 2-(1-propan-2-ylindazol-5-yl)-1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name2-(1-propan-2-ylindazol-5-yl)-1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]ethanone
PubChem CID58578217
Molecular FormulaC25H26F3N3O2
Molecular Weight457.50 g/mol
Exact Mass457.20
IUPAC Name2-(1-propan-2-ylindazol-5-yl)-1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]ethanone
SMILESCC(C)n1ncc2cc(CC(=O)C3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)ccc21
InChIInChI=1S/C25H26F3N3O2/c1-16(2)31-22-8-7-17(13-19(22)15-29-31)14-23(32)18-9-11-30(12-10-18)24(33)20-5-3-4-6-21(20)25(26,27)28/h3-8,13,15-16,18H,9-12,14H2,1-2H3
InChIKeyBOPSLPRPCYVCEO-UHFFFAOYSA-N
XLogP5.30
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.50
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-propan-2-ylindazol-5-yl)-1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]ethanone with MolForge

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Related Compounds

1-(2-cyanobenzoyl)-N-(1-propan-2-ylindazol-5-yl)piperidine-4-carboxamide
CID 70644372
(4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 63391010
[4-(1-chloroethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 106838854
[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 91833292
1-[2-(trifluoromethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 63006620
(4-aminopiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 86276608
(4-methylazepan-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 84581077
[1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-phenylmethanone
CID 41310175
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 32753291
methyl 2-[(3S)-1-[2-(trifluoromethyl)benzoyl]pyrrolidin-3-yl]sulfanylacetate
CID 99982155
decyl 1-[2-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 91726527
(3-pyrazol-1-ylpyrrolidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 126946676

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylindazol-5-yl)-1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]ethanone?
The IUPAC name of 2-(1-propan-2-ylindazol-5-yl)-1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]ethanone (CID 58578217) is 2-(1-propan-2-ylindazol-5-yl)-1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]ethanone.
What is the SMILES notation for 2-(1-propan-2-ylindazol-5-yl)-1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]ethanone?
The canonical SMILES for 2-(1-propan-2-ylindazol-5-yl)-1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]ethanone is CC(C)n1ncc2cc(CC(=O)C3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)ccc21.
What is the InChIKey of 2-(1-propan-2-ylindazol-5-yl)-1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]ethanone?
The InChIKey is BOPSLPRPCYVCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O2/c1-16(2)31-22-8-7-17(13-19(22)15-29-31)14-23(32)18-9-11-30(12-10-18)24(33)20-5-3-4-6-21(20)25(26,27)28/h3-8,13,15-16,18H,9-12,14H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylindazol-5-yl)-1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]ethanone?
2-(1-propan-2-ylindazol-5-yl)-1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]ethanone has a molecular weight of 457.50 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylindazol-5-yl)-1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 58578217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).