methyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carboxylate

C24H28N6O4 — CID 178161118

IUPACmethyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2ccn(Cc3ccc4c(C5CCC(=O)NC5=O)nn(C)c4c3)n2)CC1
InChIInChI=1S/C24H28N6O4/c1-28-20-13-15(3-4-17(20)22(27-28)18-5-6-21(31)25-23(18)32)14-30-12-9-19(26-30)16-7-10-29(11-8-16)24(33)34-2/h3-4,9,12-13,16,18H,5-8,10-11,14H2,1-2H3,(H,25,31,32)
InChIKeyLTAFFMMRJKXRNX-UHFFFAOYSA-N
MW464.53 g/mol
LogP2.28
Rot. Bonds4

About methyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carboxylate

methyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carboxylate (PubChem CID 178161118) has the molecular formula C24H28N6O4 and a molecular weight of 464.53 g/mol. Its IUPAC name is methyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carboxylate
PubChem CID178161118
Molecular FormulaC24H28N6O4
Molecular Weight464.53 g/mol
Exact Mass464.22
IUPAC Namemethyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2ccn(Cc3ccc4c(C5CCC(=O)NC5=O)nn(C)c4c3)n2)CC1
InChIInChI=1S/C24H28N6O4/c1-28-20-13-15(3-4-17(20)22(27-28)18-5-6-21(31)25-23(18)32)14-30-12-9-19(26-30)16-7-10-29(11-8-16)24(33)34-2/h3-4,9,12-13,16,18H,5-8,10-11,14H2,1-2H3,(H,25,31,32)
InChIKeyLTAFFMMRJKXRNX-UHFFFAOYSA-N
XLogP2.28
TPSA111.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carbaldehyde;ethane;methoxyethane
CID 178161539
tert-butyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]triazol-4-yl]piperidine-1-carboxylate
CID 178161301
tert-butyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-4-yl]piperidine-1-carboxylate
CID 178161503
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxypiperidine-1-carboxylate
CID 170321392
3-[6-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 176911942
3-(6-cyclohexyl-1-methylindazol-3-yl)piperidine-2,6-dione;ethyl 4-methylpiperidine-1-carboxylate
CID 178161203
ethyl 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]piperidine-1-carboxylate;hydrofluoride
CID 178160958
ethyl 4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]oxypiperidine-1-carboxylate
CID 178161660
[4-[[4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]cyclohexyl] 4-aminopiperidine-1-carboxylate
CID 172590171
tert-butyl 4-[2-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate;ethane
CID 178160748
iodomethyl 2-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-7-azaspiro[3.5]nonane-7-carboxylate
CID 178161350
3-(1-methyl-6-propanoylindazol-3-yl)piperidine-2,6-dione
CID 167239159

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carboxylate (CID 178161118) is methyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carboxylate is COC(=O)N1CCC(c2ccn(Cc3ccc4c(C5CCC(=O)NC5=O)nn(C)c4c3)n2)CC1.
What is the InChIKey of methyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carboxylate?
The InChIKey is LTAFFMMRJKXRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O4/c1-28-20-13-15(3-4-17(20)22(27-28)18-5-6-21(31)25-23(18)32)14-30-12-9-19(26-30)16-7-10-29(11-8-16)24(33)34-2/h3-4,9,12-13,16,18H,5-8,10-11,14H2,1-2H3,(H,25,31,32).
What are the key properties of methyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carboxylate?
methyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carboxylate has a molecular weight of 464.53 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 178161118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).