3-[1-methyl-6-[3-(oxan-2-yloxy)propyl]indazol-3-yl]piperidine-2,6-dione

C21H27N3O4 — CID 170322532

IUPAC3-[1-methyl-6-[3-(oxan-2-yloxy)propyl]indazol-3-yl]piperidine-2,6-dione
SMILESCn1nc(C2CCC(=O)NC2=O)c2ccc(CCCOC3CCCCO3)cc21
InChIInChI=1S/C21H27N3O4/c1-24-17-13-14(5-4-12-28-19-6-2-3-11-27-19)7-8-15(17)20(23-24)16-9-10-18(25)22-21(16)26/h7-8,13,16,19H,2-6,9-12H2,1H3,(H,22,25,26)
InChIKeyIVKQKYVZPHRVSV-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.57
Rot. Bonds6

About 3-[1-methyl-6-[3-(oxan-2-yloxy)propyl]indazol-3-yl]piperidine-2,6-dione

3-[1-methyl-6-[3-(oxan-2-yloxy)propyl]indazol-3-yl]piperidine-2,6-dione (PubChem CID 170322532) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 3-[1-methyl-6-[3-(oxan-2-yloxy)propyl]indazol-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[1-methyl-6-[3-(oxan-2-yloxy)propyl]indazol-3-yl]piperidine-2,6-dione
PubChem CID170322532
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name3-[1-methyl-6-[3-(oxan-2-yloxy)propyl]indazol-3-yl]piperidine-2,6-dione
SMILESCn1nc(C2CCC(=O)NC2=O)c2ccc(CCCOC3CCCCO3)cc21
InChIInChI=1S/C21H27N3O4/c1-24-17-13-14(5-4-12-28-19-6-2-3-11-27-19)7-8-15(17)20(23-24)16-9-10-18(25)22-21(16)26/h7-8,13,16,19H,2-6,9-12H2,1H3,(H,22,25,26)
InChIKeyIVKQKYVZPHRVSV-UHFFFAOYSA-N
XLogP2.57
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[1-methyl-6-[3-(oxan-2-yloxy)propyl]indazol-3-yl]piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-methyl-6-propanoylindazol-3-yl)piperidine-2,6-dione
CID 167239159
3-[1-methyl-6-[(4-piperidin-4-ylcyclohexyl)methyl]indazol-3-yl]piperidine-2,6-dione
CID 178160947
3-[5-(aminomethyl)-1-methylindazol-3-yl]piperidine-2,6-dione
CID 138460739
3-[6-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 172591430
tert-butyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]triazol-4-yl]piperidine-1-carboxylate
CID 178161301
3-[1-methyl-6-[(3R)-pyrrolidin-3-yl]indazol-3-yl]piperidine-2,6-dione
CID 170321612
3-[1-methyl-6-[(3R)-piperidin-3-yl]indazol-3-yl]piperidine-2,6-dione
CID 170321838
3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride
CID 170907583
benzene;3-[1-methyl-6-[1-(2-phenoxyethyl)piperidin-4-yl]oxyindazol-3-yl]piperidine-2,6-dione;1,2,3,4-tetrahydronaphthalene
CID 167478456
tert-butyl (2R)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-2-methylpiperidine-1-carboxylate
CID 178017552
2-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]azetidin-1-yl]acetic acid
CID 166168890
tert-butyl 3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 178161570

Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-6-[3-(oxan-2-yloxy)propyl]indazol-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[1-methyl-6-[3-(oxan-2-yloxy)propyl]indazol-3-yl]piperidine-2,6-dione (CID 170322532) is 3-[1-methyl-6-[3-(oxan-2-yloxy)propyl]indazol-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[1-methyl-6-[3-(oxan-2-yloxy)propyl]indazol-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[1-methyl-6-[3-(oxan-2-yloxy)propyl]indazol-3-yl]piperidine-2,6-dione is Cn1nc(C2CCC(=O)NC2=O)c2ccc(CCCOC3CCCCO3)cc21.
What is the InChIKey of 3-[1-methyl-6-[3-(oxan-2-yloxy)propyl]indazol-3-yl]piperidine-2,6-dione?
The InChIKey is IVKQKYVZPHRVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-24-17-13-14(5-4-12-28-19-6-2-3-11-27-19)7-8-15(17)20(23-24)16-9-10-18(25)22-21(16)26/h7-8,13,16,19H,2-6,9-12H2,1H3,(H,22,25,26).
What are the key properties of 3-[1-methyl-6-[3-(oxan-2-yloxy)propyl]indazol-3-yl]piperidine-2,6-dione?
3-[1-methyl-6-[3-(oxan-2-yloxy)propyl]indazol-3-yl]piperidine-2,6-dione has a molecular weight of 385.46 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methyl-6-[3-(oxan-2-yloxy)propyl]indazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 170322532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).