3-[7-amino-1-(1,1,1-trifluoropropan-2-yl)indazol-3-yl]piperidine-2,6-dione

C15H15F3N4O2 — CID 170023276

IUPAC3-[7-amino-1-(1,1,1-trifluoropropan-2-yl)indazol-3-yl]piperidine-2,6-dione
SMILESCC(n1nc(C2CCC(=O)NC2=O)c2cccc(N)c21)C(F)(F)F
InChIInChI=1S/C15H15F3N4O2/c1-7(15(16,17)18)22-13-8(3-2-4-10(13)19)12(21-22)9-5-6-11(23)20-14(9)24/h2-4,7,9H,5-6,19H2,1H3,(H,20,23,24)
InChIKeyMAQJDXGYDKAEET-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.26
Rot. Bonds2

About 3-[7-amino-1-(1,1,1-trifluoropropan-2-yl)indazol-3-yl]piperidine-2,6-dione

3-[7-amino-1-(1,1,1-trifluoropropan-2-yl)indazol-3-yl]piperidine-2,6-dione (PubChem CID 170023276) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is 3-[7-amino-1-(1,1,1-trifluoropropan-2-yl)indazol-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[7-amino-1-(1,1,1-trifluoropropan-2-yl)indazol-3-yl]piperidine-2,6-dione
PubChem CID170023276
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC Name3-[7-amino-1-(1,1,1-trifluoropropan-2-yl)indazol-3-yl]piperidine-2,6-dione
SMILESCC(n1nc(C2CCC(=O)NC2=O)c2cccc(N)c21)C(F)(F)F
InChIInChI=1S/C15H15F3N4O2/c1-7(15(16,17)18)22-13-8(3-2-4-10(13)19)12(21-22)9-5-6-11(23)20-14(9)24/h2-4,7,9H,5-6,19H2,1H3,(H,20,23,24)
InChIKeyMAQJDXGYDKAEET-UHFFFAOYSA-N
XLogP2.26
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(7-amino-1-methylindazol-3-yl)piperidine-2,6-dione
CID 162510232
3-[1-methyl-7-[methyl(piperidin-4-yl)amino]indazol-3-yl]piperidine-2,6-dione
CID 172587109
3-[1-methyl-7-(2-methylpiperazin-1-yl)indazol-3-yl]piperidine-2,6-dione
CID 175963231
3-[1-methyl-7-[[(2S)-pyrrolidin-2-yl]methylamino]indazol-3-yl]piperidine-2,6-dione
CID 170629913
3-[1-methyl-7-[4-[[(2S)-2-(trifluoromethyl)piperazin-1-yl]methyl]piperidin-1-yl]indazol-3-yl]piperidine-2,6-dione
CID 170433645
3-[1-methyl-7-[3-(piperidin-4-ylmethyl)azetidin-1-yl]indazol-3-yl]piperidine-2,6-dione
CID 170432760
3-[7-[4-[(2R)-5-cyclohexylpentan-2-yl]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 175632812
3-(1,5-dimethyl-6-propan-2-ylindazol-3-yl)piperidine-2,6-dione
CID 178017694
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperazine-1-carboxylate
CID 170321259
3-[1-methyl-7-[4-(piperidin-4-ylmethyl)piperazin-1-yl]indazol-3-yl]piperidine-2,6-dione
CID 170433398
3-[1-(2-methoxyethyl)-7-(methylamino)indazol-3-yl]piperidine-2,6-dione
CID 170027641
3-[7-[4-[(2R)-3-cyclohexyl-2-methylpropyl]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 175632674

Frequently Asked Questions

What is the IUPAC name of 3-[7-amino-1-(1,1,1-trifluoropropan-2-yl)indazol-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[7-amino-1-(1,1,1-trifluoropropan-2-yl)indazol-3-yl]piperidine-2,6-dione (CID 170023276) is 3-[7-amino-1-(1,1,1-trifluoropropan-2-yl)indazol-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[7-amino-1-(1,1,1-trifluoropropan-2-yl)indazol-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[7-amino-1-(1,1,1-trifluoropropan-2-yl)indazol-3-yl]piperidine-2,6-dione is CC(n1nc(C2CCC(=O)NC2=O)c2cccc(N)c21)C(F)(F)F.
What is the InChIKey of 3-[7-amino-1-(1,1,1-trifluoropropan-2-yl)indazol-3-yl]piperidine-2,6-dione?
The InChIKey is MAQJDXGYDKAEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c1-7(15(16,17)18)22-13-8(3-2-4-10(13)19)12(21-22)9-5-6-11(23)20-14(9)24/h2-4,7,9H,5-6,19H2,1H3,(H,20,23,24).
What are the key properties of 3-[7-amino-1-(1,1,1-trifluoropropan-2-yl)indazol-3-yl]piperidine-2,6-dione?
3-[7-amino-1-(1,1,1-trifluoropropan-2-yl)indazol-3-yl]piperidine-2,6-dione has a molecular weight of 340.31 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-amino-1-(1,1,1-trifluoropropan-2-yl)indazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 170023276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).