3-[1-methyl-6-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]piperidine-2,6-dione

C18H20F3N5O2 — CID 170321853

IUPAC3-[1-methyl-6-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]piperidine-2,6-dione
SMILESCn1nc(C2CCC(=O)NC2=O)c2ccc(N3CCNCC3C(F)(F)F)cc21
InChIInChI=1S/C18H20F3N5O2/c1-25-13-8-10(26-7-6-22-9-14(26)18(19,20)21)2-3-11(13)16(24-25)12-4-5-15(27)23-17(12)28/h2-3,8,12,14,22H,4-7,9H2,1H3,(H,23,27,28)
InChIKeyZSOYWKZHOCJYAB-UHFFFAOYSA-N
MW395.39 g/mol
LogP1.43
Rot. Bonds2

About 3-[1-methyl-6-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]piperidine-2,6-dione

3-[1-methyl-6-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]piperidine-2,6-dione (PubChem CID 170321853) has the molecular formula C18H20F3N5O2 and a molecular weight of 395.39 g/mol. Its IUPAC name is 3-[1-methyl-6-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[1-methyl-6-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]piperidine-2,6-dione
PubChem CID170321853
Molecular FormulaC18H20F3N5O2
Molecular Weight395.39 g/mol
Exact Mass395.16
IUPAC Name3-[1-methyl-6-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]piperidine-2,6-dione
SMILESCn1nc(C2CCC(=O)NC2=O)c2ccc(N3CCNCC3C(F)(F)F)cc21
InChIInChI=1S/C18H20F3N5O2/c1-25-13-8-10(26-7-6-22-9-14(26)18(19,20)21)2-3-11(13)16(24-25)12-4-5-15(27)23-17(12)28/h2-3,8,12,14,22H,4-7,9H2,1H3,(H,23,27,28)
InChIKeyZSOYWKZHOCJYAB-UHFFFAOYSA-N
XLogP1.43
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[1-methyl-6-[3-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]piperidine-2,6-dione
CID 170322501
3-[6-[4-[difluoro(piperidin-4-yl)methyl]piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 178161716
3-[1-methyl-6-[(2R)-2-methylpiperazin-4-ium-1-yl]indazol-3-yl]piperidine-2,6-dione chloride
CID 172587152
3-[1-methyl-6-[(3R)-pyrrolidin-3-yl]indazol-3-yl]piperidine-2,6-dione
CID 170321612
3-[6-[4-[[(3R,4R)-3-fluoropiperidin-4-yl]methyl]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 170432425
3-[1-methyl-6-[(3R)-piperidin-3-yl]indazol-3-yl]piperidine-2,6-dione
CID 170321838
4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]piperidine-1-carbaldehyde
CID 178160939
3-[1-methyl-6-[3-(piperidin-4-ylmethyl)pyrrolidin-1-yl]indazol-3-yl]piperidine-2,6-dione
CID 170629938
3-[1-methyl-6-(3-methyl-2-oxopiperidin-1-yl)indazol-3-yl]piperidine-2,6-dione
CID 176947865
2-[1-[3-[(3R)-2,6-dioxopiperidin-3-yl]-1-methylindazol-6-yl]piperidin-4-yl]acetic acid
CID 156507226
3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride
CID 170907583
3-[6-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 172587223

Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-6-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[1-methyl-6-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]piperidine-2,6-dione (CID 170321853) is 3-[1-methyl-6-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[1-methyl-6-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[1-methyl-6-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]piperidine-2,6-dione is Cn1nc(C2CCC(=O)NC2=O)c2ccc(N3CCNCC3C(F)(F)F)cc21.
What is the InChIKey of 3-[1-methyl-6-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]piperidine-2,6-dione?
The InChIKey is ZSOYWKZHOCJYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O2/c1-25-13-8-10(26-7-6-22-9-14(26)18(19,20)21)2-3-11(13)16(24-25)12-4-5-15(27)23-17(12)28/h2-3,8,12,14,22H,4-7,9H2,1H3,(H,23,27,28).
What are the key properties of 3-[1-methyl-6-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]piperidine-2,6-dione?
3-[1-methyl-6-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]piperidine-2,6-dione has a molecular weight of 395.39 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methyl-6-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 170321853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).