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

C27H34N6O4 — CID 178161503

IUPACtert-butyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-4-yl]piperidine-1-carboxylate
SMILESCn1nc(C2CCC(=O)NC2=O)c2ccc(Cn3cc(C4CCN(C(=O)OC(C)(C)C)CC4)cn3)cc21
InChIInChI=1S/C27H34N6O4/c1-27(2,3)37-26(36)32-11-9-18(10-12-32)19-14-28-33(16-19)15-17-5-6-20-22(13-17)31(4)30-24(20)21-7-8-23(34)29-25(21)35/h5-6,13-14,16,18,21H,7-12,15H2,1-4H3,(H,29,34,35)
InChIKeyUEGYQFGTOZIJQQ-UHFFFAOYSA-N
MW506.61 g/mol
LogP3.45
Rot. Bonds4

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

tert-butyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-4-yl]piperidine-1-carboxylate (PubChem CID 178161503) has the molecular formula C27H34N6O4 and a molecular weight of 506.61 g/mol. Its IUPAC name is tert-butyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-4-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-4-yl]piperidine-1-carboxylate
PubChem CID178161503
Molecular FormulaC27H34N6O4
Molecular Weight506.61 g/mol
Exact Mass506.26
IUPAC Nametert-butyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-4-yl]piperidine-1-carboxylate
SMILESCn1nc(C2CCC(=O)NC2=O)c2ccc(Cn3cc(C4CCN(C(=O)OC(C)(C)C)CC4)cn3)cc21
InChIInChI=1S/C27H34N6O4/c1-27(2,3)37-26(36)32-11-9-18(10-12-32)19-14-28-33(16-19)15-17-5-6-20-22(13-17)31(4)30-24(20)21-7-8-23(34)29-25(21)35/h5-6,13-14,16,18,21H,7-12,15H2,1-4H3,(H,29,34,35)
InChIKeyUEGYQFGTOZIJQQ-UHFFFAOYSA-N
XLogP3.45
TPSA111.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.61
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

tert-butyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]triazol-4-yl]piperidine-1-carboxylate
CID 178161301
methyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carboxylate
CID 178161118
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxypiperidine-1-carboxylate
CID 170321392
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
tert-butyl (2S,4S)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-2-methylpiperidine-1-carboxylate
CID 170617163
tert-butyl (2R)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-2-methylpiperidine-1-carboxylate
CID 178017552
tert-butyl (3R)-3-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]piperidine-1-carboxylate
CID 170629691
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-5-fluoro-1-methylindazol-6-yl]piperazine-1-carboxylate
CID 170322178
tert-butyl 2-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 175984559
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
tert-butyl 8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-2-azaspiro[4.5]decane-2-carboxylate
CID 170629792

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-4-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-4-yl]piperidine-1-carboxylate (CID 178161503) is tert-butyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-4-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-4-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-4-yl]piperidine-1-carboxylate is Cn1nc(C2CCC(=O)NC2=O)c2ccc(Cn3cc(C4CCN(C(=O)OC(C)(C)C)CC4)cn3)cc21.
What is the InChIKey of tert-butyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-4-yl]piperidine-1-carboxylate?
The InChIKey is UEGYQFGTOZIJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O4/c1-27(2,3)37-26(36)32-11-9-18(10-12-32)19-14-28-33(16-19)15-17-5-6-20-22(13-17)31(4)30-24(20)21-7-8-23(34)29-25(21)35/h5-6,13-14,16,18,21H,7-12,15H2,1-4H3,(H,29,34,35).
What are the key properties of tert-butyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-4-yl]piperidine-1-carboxylate?
tert-butyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-4-yl]piperidine-1-carboxylate has a molecular weight of 506.61 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-4-yl]piperidine-1-carboxylate is sourced from PubChem (CID 178161503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).