3-(7-amino-1-methylindazol-3-yl)piperidine-2,6-dione

C13H14N4O2 — CID 162510232

IUPAC3-(7-amino-1-methylindazol-3-yl)piperidine-2,6-dione
SMILESCn1nc(C2CCC(=O)NC2=O)c2cccc(N)c21
InChIInChI=1S/C13H14N4O2/c1-17-12-7(3-2-4-9(12)14)11(16-17)8-5-6-10(18)15-13(8)19/h2-4,8H,5-6,14H2,1H3,(H,15,18,19)
InChIKeyHFUNVIYZQZDQCS-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.68
Rot. Bonds1

About 3-(7-amino-1-methylindazol-3-yl)piperidine-2,6-dione

3-(7-amino-1-methylindazol-3-yl)piperidine-2,6-dione (PubChem CID 162510232) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-(7-amino-1-methylindazol-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(7-amino-1-methylindazol-3-yl)piperidine-2,6-dione
PubChem CID162510232
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name3-(7-amino-1-methylindazol-3-yl)piperidine-2,6-dione
SMILESCn1nc(C2CCC(=O)NC2=O)c2cccc(N)c21
InChIInChI=1S/C13H14N4O2/c1-17-12-7(3-2-4-9(12)14)11(16-17)8-5-6-10(18)15-13(8)19/h2-4,8H,5-6,14H2,1H3,(H,15,18,19)
InChIKeyHFUNVIYZQZDQCS-UHFFFAOYSA-N
XLogP0.68
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.68
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-(1,1,1-trifluoropropan-2-yl)indazol-3-yl]piperidine-2,6-dione
CID 170023276
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-[3-(piperidin-4-ylmethyl)azetidin-1-yl]indazol-3-yl]piperidine-2,6-dione
CID 170432760
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
(3S)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-3-methylpiperazine-1-carboxylic acid
CID 170321009
3-[1-methyl-7-[[(3R)-piperidin-3-yl]methylamino]indazol-3-yl]piperidine-2,6-dione
CID 170629752
3-[5-(aminomethyl)-1-methylindazol-3-yl]piperidine-2,6-dione
CID 138460739
3-[1-methyl-7-(3-piperazin-1-ylpiperidin-1-yl)indazol-3-yl]piperidine-2,6-dione
CID 170432476
3-[7-[(3S,5S)-3,5-dimethyl-4-(piperidin-4-ylmethyl)piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 170433493

Frequently Asked Questions

What is the IUPAC name of 3-(7-amino-1-methylindazol-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(7-amino-1-methylindazol-3-yl)piperidine-2,6-dione (CID 162510232) is 3-(7-amino-1-methylindazol-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(7-amino-1-methylindazol-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(7-amino-1-methylindazol-3-yl)piperidine-2,6-dione is Cn1nc(C2CCC(=O)NC2=O)c2cccc(N)c21.
What is the InChIKey of 3-(7-amino-1-methylindazol-3-yl)piperidine-2,6-dione?
The InChIKey is HFUNVIYZQZDQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-17-12-7(3-2-4-9(12)14)11(16-17)8-5-6-10(18)15-13(8)19/h2-4,8H,5-6,14H2,1H3,(H,15,18,19).
What are the key properties of 3-(7-amino-1-methylindazol-3-yl)piperidine-2,6-dione?
3-(7-amino-1-methylindazol-3-yl)piperidine-2,6-dione has a molecular weight of 258.28 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-amino-1-methylindazol-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 162510232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).