4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carbaldehyde;ethane;methoxyethane

C28H40N6O4 — CID 178161539

IUPAC4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carbaldehyde;ethane;methoxyethane
SMILESCC.CCOC.Cn1nc(C2CCC(=O)NC2=O)c2ccc(Cn3ccc(C4CCN(C=O)CC4)n3)cc21
InChIInChI=1S/C23H26N6O3.C3H8O.C2H6/c1-27-20-12-15(2-3-17(20)22(26-27)18-4-5-21(31)24-23(18)32)13-29-11-8-19(25-29)16-6-9-28(14-30)10-7-16;1-3-4-2;1-2/h2-3,8,11-12,14,16,18H,4-7,9-10,13H2,1H3,(H,24,31,32);3H2,1-2H3;1-2H3
InChIKeyACCYLANDDPEPTQ-UHFFFAOYSA-N
MW524.67 g/mol
LogP3.35
Rot. Bonds6

About 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carbaldehyde;ethane;methoxyethane

4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carbaldehyde;ethane;methoxyethane (PubChem CID 178161539) has the molecular formula C28H40N6O4 and a molecular weight of 524.67 g/mol. Its IUPAC name is 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carbaldehyde;ethane;methoxyethane.

Molecular Properties

Compound Name4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carbaldehyde;ethane;methoxyethane
PubChem CID178161539
Molecular FormulaC28H40N6O4
Molecular Weight524.67 g/mol
Exact Mass524.31
IUPAC Name4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carbaldehyde;ethane;methoxyethane
SMILESCC.CCOC.Cn1nc(C2CCC(=O)NC2=O)c2ccc(Cn3ccc(C4CCN(C=O)CC4)n3)cc21
InChIInChI=1S/C23H26N6O3.C3H8O.C2H6/c1-27-20-12-15(2-3-17(20)22(26-27)18-4-5-21(31)24-23(18)32)13-29-11-8-19(25-29)16-6-9-28(14-30)10-7-16;1-3-4-2;1-2/h2-3,8,11-12,14,16,18H,4-7,9-10,13H2,1H3,(H,24,31,32);3H2,1-2H3;1-2H3
InChIKeyACCYLANDDPEPTQ-UHFFFAOYSA-N
XLogP3.35
TPSA111.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.67
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carbaldehyde;ethane;methoxyethane 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

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-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]triazol-4-yl]piperidine-1-carboxylate
CID 178161301
4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]piperidine-1-carbaldehyde
CID 178160939
tert-butyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-4-yl]piperidine-1-carboxylate
CID 178161503
3-[1-methyl-6-[(4-piperidin-4-ylcyclohexyl)methyl]indazol-3-yl]piperidine-2,6-dione
CID 178160947
3-[6-[1-[(4-aminocyclohexyl)methyl]piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 172590483
3-[6-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 176911942
3-(1-methyl-6-propanoylindazol-3-yl)piperidine-2,6-dione
CID 167239159
3-[6-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 172591430
3-[1-methyl-6-(3-piperazin-1-ylpropoxy)indazol-3-yl]piperidine-2,6-dione
CID 170321837
3-[1-methyl-6-[3-(oxan-2-yloxy)propyl]indazol-3-yl]piperidine-2,6-dione
CID 170322532
3-[5-(aminomethyl)-1-methylindazol-3-yl]piperidine-2,6-dione
CID 138460739

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carbaldehyde;ethane;methoxyethane?
The IUPAC name of 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carbaldehyde;ethane;methoxyethane (CID 178161539) is 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carbaldehyde;ethane;methoxyethane.
What is the SMILES notation for 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carbaldehyde;ethane;methoxyethane?
The canonical SMILES for 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carbaldehyde;ethane;methoxyethane is CC.CCOC.Cn1nc(C2CCC(=O)NC2=O)c2ccc(Cn3ccc(C4CCN(C=O)CC4)n3)cc21.
What is the InChIKey of 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carbaldehyde;ethane;methoxyethane?
The InChIKey is ACCYLANDDPEPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3.C3H8O.C2H6/c1-27-20-12-15(2-3-17(20)22(26-27)18-4-5-21(31)24-23(18)32)13-29-11-8-19(25-29)16-6-9-28(14-30)10-7-16;1-3-4-2;1-2/h2-3,8,11-12,14,16,18H,4-7,9-10,13H2,1H3,(H,24,31,32);3H2,1-2H3;1-2H3.
What are the key properties of 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carbaldehyde;ethane;methoxyethane?
4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carbaldehyde;ethane;methoxyethane has a molecular weight of 524.67 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carbaldehyde;ethane;methoxyethane is sourced from PubChem (CID 178161539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).