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

C18H23N5O2 — CID 175963231

IUPAC3-[1-methyl-7-(2-methylpiperazin-1-yl)indazol-3-yl]piperidine-2,6-dione
SMILESCC1CNCCN1c1cccc2c(C3CCC(=O)NC3=O)nn(C)c12
InChIInChI=1S/C18H23N5O2/c1-11-10-19-8-9-23(11)14-5-3-4-12-16(21-22(2)17(12)14)13-6-7-15(24)20-18(13)25/h3-5,11,13,19H,6-10H2,1-2H3,(H,20,24,25)
InChIKeyQJZQNILHSCLAPR-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.89
Rot. Bonds2

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

3-[1-methyl-7-(2-methylpiperazin-1-yl)indazol-3-yl]piperidine-2,6-dione (PubChem CID 175963231) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-[1-methyl-7-(2-methylpiperazin-1-yl)indazol-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[1-methyl-7-(2-methylpiperazin-1-yl)indazol-3-yl]piperidine-2,6-dione
PubChem CID175963231
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name3-[1-methyl-7-(2-methylpiperazin-1-yl)indazol-3-yl]piperidine-2,6-dione
SMILESCC1CNCCN1c1cccc2c(C3CCC(=O)NC3=O)nn(C)c12
InChIInChI=1S/C18H23N5O2/c1-11-10-19-8-9-23(11)14-5-3-4-12-16(21-22(2)17(12)14)13-6-7-15(24)20-18(13)25/h3-5,11,13,19H,6-10H2,1-2H3,(H,20,24,25)
InChIKeyQJZQNILHSCLAPR-UHFFFAOYSA-N
XLogP0.89
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.89
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

(3S)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-3-methylpiperazine-1-carboxylic acid
CID 170321009
3-[1-methyl-7-(3-piperazin-1-ylpiperidin-1-yl)indazol-3-yl]piperidine-2,6-dione
CID 170432476
3-[1-methyl-7-[4-(piperidin-4-ylmethyl)piperazin-1-yl]indazol-3-yl]piperidine-2,6-dione
CID 170433398
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-[1-methyl-7-[4-[[(2S)-2-(trifluoromethyl)piperazin-1-yl]methyl]piperidin-1-yl]indazol-3-yl]piperidine-2,6-dione
CID 170433645
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-[7-[3,3-dimethyl-4-(piperidin-4-ylmethyl)piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 170434301
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]piperazine-1-carboxylate
CID 170321259
3-[1-methyl-7-[methyl(piperidin-4-yl)amino]indazol-3-yl]piperidine-2,6-dione
CID 172587109
3-[1-methyl-7-[[(3R)-piperidin-3-yl]methylamino]indazol-3-yl]piperidine-2,6-dione
CID 170629752
3-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]piperidine-2,6-dione
CID 171397543

Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-7-(2-methylpiperazin-1-yl)indazol-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[1-methyl-7-(2-methylpiperazin-1-yl)indazol-3-yl]piperidine-2,6-dione (CID 175963231) is 3-[1-methyl-7-(2-methylpiperazin-1-yl)indazol-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[1-methyl-7-(2-methylpiperazin-1-yl)indazol-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[1-methyl-7-(2-methylpiperazin-1-yl)indazol-3-yl]piperidine-2,6-dione is CC1CNCCN1c1cccc2c(C3CCC(=O)NC3=O)nn(C)c12.
What is the InChIKey of 3-[1-methyl-7-(2-methylpiperazin-1-yl)indazol-3-yl]piperidine-2,6-dione?
The InChIKey is QJZQNILHSCLAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-11-10-19-8-9-23(11)14-5-3-4-12-16(21-22(2)17(12)14)13-6-7-15(24)20-18(13)25/h3-5,11,13,19H,6-10H2,1-2H3,(H,20,24,25).
What are the key properties of 3-[1-methyl-7-(2-methylpiperazin-1-yl)indazol-3-yl]piperidine-2,6-dione?
3-[1-methyl-7-(2-methylpiperazin-1-yl)indazol-3-yl]piperidine-2,6-dione has a molecular weight of 341.42 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methyl-7-(2-methylpiperazin-1-yl)indazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 175963231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).