3-[6-[2-[4-[[1-[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethoxy]-1-methylindazol-3-yl]piperidine-2,6-dione

C47H51N7O6 — CID 167478766

IUPAC3-[6-[2-[4-[[1-[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethoxy]-1-methylindazol-3-yl]piperidine-2,6-dione
SMILESCc1c(-c2ccc(O)cc2)n(Cc2ccc(N3CCC(CN4CCN(C(=O)COc5ccc6c(C7CCC(=O)NC7=O)nn(C)c6c5)CC4)CC3)cc2)c2ccc(O)cc12
InChIInChI=1S/C47H51N7O6/c1-30-40-25-36(56)11-15-41(40)54(46(30)33-5-9-35(55)10-6-33)28-31-3-7-34(8-4-31)52-19-17-32(18-20-52)27-51-21-23-53(24-22-51)44(58)29-60-37-12-13-38-42(26-37)50(2)49-45(38)39-14-16-43(57)48-47(39)59/h3-13,15,25-26,32,39,55-56H,14,16-24,27-29H2,1-2H3,(H,48,57,59)
InChIKeyQVKRDOJYTISHRH-UHFFFAOYSA-N
MW809.97 g/mol
LogP5.92
Rot. Bonds10

About 3-[6-[2-[4-[[1-[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethoxy]-1-methylindazol-3-yl]piperidine-2,6-dione

3-[6-[2-[4-[[1-[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethoxy]-1-methylindazol-3-yl]piperidine-2,6-dione (PubChem CID 167478766) has the molecular formula C47H51N7O6 and a molecular weight of 809.97 g/mol. Its IUPAC name is 3-[6-[2-[4-[[1-[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethoxy]-1-methylindazol-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[2-[4-[[1-[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethoxy]-1-methylindazol-3-yl]piperidine-2,6-dione
PubChem CID167478766
Molecular FormulaC47H51N7O6
Molecular Weight809.97 g/mol
Exact Mass809.39
IUPAC Name3-[6-[2-[4-[[1-[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethoxy]-1-methylindazol-3-yl]piperidine-2,6-dione
SMILESCc1c(-c2ccc(O)cc2)n(Cc2ccc(N3CCC(CN4CCN(C(=O)COc5ccc6c(C7CCC(=O)NC7=O)nn(C)c6c5)CC4)CC3)cc2)c2ccc(O)cc12
InChIInChI=1S/C47H51N7O6/c1-30-40-25-36(56)11-15-41(40)54(46(30)33-5-9-35(55)10-6-33)28-31-3-7-34(8-4-31)52-19-17-32(18-20-52)27-51-21-23-53(24-22-51)44(58)29-60-37-12-13-38-42(26-37)50(2)49-45(38)39-14-16-43(57)48-47(39)59/h3-13,15,25-26,32,39,55-56H,14,16-24,27-29H2,1-2H3,(H,48,57,59)
InChIKeyQVKRDOJYTISHRH-UHFFFAOYSA-N
XLogP5.92
TPSA145.40 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500809.97
LogP ≤ 55.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[6-[2-[4-[[1-[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethoxy]-1-methylindazol-3-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[7-[2-[4-[4-[4-[[5-benzyl-2-(4-fluorophenyl)-3-methylindol-1-yl]methyl]phenoxy]butyl]piperazin-1-yl]-2-oxoethoxy]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 167478379
3-[1-methyl-7-[2-[4-[4-[4-[(3-methyl-2-phenylindol-1-yl)methyl]phenoxy]butyl]piperazin-1-yl]-2-oxoethoxy]indazol-3-yl]piperidine-2,6-dione
CID 167478832
ethyl 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]piperidine-1-carboxylate;hydrofluoride
CID 178160958
3-[6-[4-[[1-[4-[(3S,4R)-7-hydroxy-3-phenyl-3,4-dihydro-1H-isochromen-4-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 170705921
2-[1-[3-[(3R)-2,6-dioxopiperidin-3-yl]-1-methylindazol-6-yl]piperidin-4-yl]acetic acid
CID 156507226
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
ethyl 4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]oxypiperidine-1-carboxylate
CID 178161660
ethyl 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-4-fluoropiperidine-1-carboxylate
CID 178161127
3-[1-methyl-6-(3-piperazin-1-ylpropoxy)indazol-3-yl]piperidine-2,6-dione
CID 170321837
ethyl (2R,4S)-4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-2-methylpiperidine-1-carboxylate
CID 178160908
3-[1-methyl-6-[7-(piperazin-1-ylmethyl)-2-azaspiro[3.5]nonan-2-yl]indazol-3-yl]piperidine-2,6-dione
CID 170629865
3-[6-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 172591430

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-[4-[[1-[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethoxy]-1-methylindazol-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[2-[4-[[1-[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethoxy]-1-methylindazol-3-yl]piperidine-2,6-dione (CID 167478766) is 3-[6-[2-[4-[[1-[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethoxy]-1-methylindazol-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[2-[4-[[1-[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethoxy]-1-methylindazol-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[2-[4-[[1-[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethoxy]-1-methylindazol-3-yl]piperidine-2,6-dione is Cc1c(-c2ccc(O)cc2)n(Cc2ccc(N3CCC(CN4CCN(C(=O)COc5ccc6c(C7CCC(=O)NC7=O)nn(C)c6c5)CC4)CC3)cc2)c2ccc(O)cc12.
What is the InChIKey of 3-[6-[2-[4-[[1-[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethoxy]-1-methylindazol-3-yl]piperidine-2,6-dione?
The InChIKey is QVKRDOJYTISHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H51N7O6/c1-30-40-25-36(56)11-15-41(40)54(46(30)33-5-9-35(55)10-6-33)28-31-3-7-34(8-4-31)52-19-17-32(18-20-52)27-51-21-23-53(24-22-51)44(58)29-60-37-12-13-38-42(26-37)50(2)49-45(38)39-14-16-43(57)48-47(39)59/h3-13,15,25-26,32,39,55-56H,14,16-24,27-29H2,1-2H3,(H,48,57,59).
What are the key properties of 3-[6-[2-[4-[[1-[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethoxy]-1-methylindazol-3-yl]piperidine-2,6-dione?
3-[6-[2-[4-[[1-[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethoxy]-1-methylindazol-3-yl]piperidine-2,6-dione has a molecular weight of 809.97 g/mol, XLogP of 5.92, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-[4-[[1-[4-[[5-hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethoxy]-1-methylindazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 167478766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).