3-[1-methyl-7-[methyl(piperidin-4-yl)amino]indazol-3-yl]piperidine-2,6-dione

C19H25N5O2 — CID 172587109

IUPAC3-[1-methyl-7-[methyl(piperidin-4-yl)amino]indazol-3-yl]piperidine-2,6-dione
SMILESCN(c1cccc2c(C3CCC(=O)NC3=O)nn(C)c12)C1CCNCC1
InChIInChI=1S/C19H25N5O2/c1-23(12-8-10-20-11-9-12)15-5-3-4-13-17(22-24(2)18(13)15)14-6-7-16(25)21-19(14)26/h3-5,12,14,20H,6-11H2,1-2H3,(H,21,25,26)
InChIKeyTXWJSPHTBCSJJF-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.28
Rot. Bonds3

About 3-[1-methyl-7-[methyl(piperidin-4-yl)amino]indazol-3-yl]piperidine-2,6-dione

3-[1-methyl-7-[methyl(piperidin-4-yl)amino]indazol-3-yl]piperidine-2,6-dione (PubChem CID 172587109) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[1-methyl-7-[methyl(piperidin-4-yl)amino]indazol-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[1-methyl-7-[methyl(piperidin-4-yl)amino]indazol-3-yl]piperidine-2,6-dione
PubChem CID172587109
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name3-[1-methyl-7-[methyl(piperidin-4-yl)amino]indazol-3-yl]piperidine-2,6-dione
SMILESCN(c1cccc2c(C3CCC(=O)NC3=O)nn(C)c12)C1CCNCC1
InChIInChI=1S/C19H25N5O2/c1-23(12-8-10-20-11-9-12)15-5-3-4-13-17(22-24(2)18(13)15)14-6-7-16(25)21-19(14)26/h3-5,12,14,20H,6-11H2,1-2H3,(H,21,25,26)
InChIKeyTXWJSPHTBCSJJF-UHFFFAOYSA-N
XLogP1.28
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.28
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-(7-amino-1-methylindazol-3-yl)piperidine-2,6-dione
CID 162510232
3-[1-methyl-7-[3-(piperidin-4-ylmethyl)azetidin-1-yl]indazol-3-yl]piperidine-2,6-dione
CID 170432760
3-[1-methyl-7-[4-(piperidin-4-ylmethyl)piperazin-1-yl]indazol-3-yl]piperidine-2,6-dione
CID 170433398
3-[1-methyl-7-(2-methylpiperazin-1-yl)indazol-3-yl]piperidine-2,6-dione
CID 175963231
3-[7-[(3S,5S)-3,5-dimethyl-4-(piperidin-4-ylmethyl)piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 170433493
3-[7-[3,3-dimethyl-4-(piperidin-4-ylmethyl)piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 170434301
3-[1-methyl-7-(3-piperazin-1-ylpiperidin-1-yl)indazol-3-yl]piperidine-2,6-dione
CID 170432476
3-[1-methyl-7-[[(2S)-pyrrolidin-2-yl]methylamino]indazol-3-yl]piperidine-2,6-dione
CID 170629913
3-[1-methyl-7-[[(3R)-piperidin-3-yl]methylamino]indazol-3-yl]piperidine-2,6-dione
CID 170629752
3-[7-amino-1-(1,1,1-trifluoropropan-2-yl)indazol-3-yl]piperidine-2,6-dione
CID 170023276
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperazine-1-carboxylate
CID 170321259
3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride
CID 170907583

Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-7-[methyl(piperidin-4-yl)amino]indazol-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[1-methyl-7-[methyl(piperidin-4-yl)amino]indazol-3-yl]piperidine-2,6-dione (CID 172587109) is 3-[1-methyl-7-[methyl(piperidin-4-yl)amino]indazol-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[1-methyl-7-[methyl(piperidin-4-yl)amino]indazol-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[1-methyl-7-[methyl(piperidin-4-yl)amino]indazol-3-yl]piperidine-2,6-dione is CN(c1cccc2c(C3CCC(=O)NC3=O)nn(C)c12)C1CCNCC1.
What is the InChIKey of 3-[1-methyl-7-[methyl(piperidin-4-yl)amino]indazol-3-yl]piperidine-2,6-dione?
The InChIKey is TXWJSPHTBCSJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-23(12-8-10-20-11-9-12)15-5-3-4-13-17(22-24(2)18(13)15)14-6-7-16(25)21-19(14)26/h3-5,12,14,20H,6-11H2,1-2H3,(H,21,25,26).
What are the key properties of 3-[1-methyl-7-[methyl(piperidin-4-yl)amino]indazol-3-yl]piperidine-2,6-dione?
3-[1-methyl-7-[methyl(piperidin-4-yl)amino]indazol-3-yl]piperidine-2,6-dione has a molecular weight of 355.44 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methyl-7-[methyl(piperidin-4-yl)amino]indazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 172587109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).