3-[6-[6-[[[2-chloro-3-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C55H48ClF3N10O6 — CID 169206291

IUPAC3-[6-[6-[[[2-chloro-3-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(-c4cc(CNCc5cccc(-c6cnc7c(-c8ccc9c(c8)CN(C8CCC(=O)NC8=O)C9=O)cc(CN8CCC(C(F)(F)F)CC8)cn67)c5Cl)cn5ccnc45)ccc3C2=O)C(=O)N1
InChIInChI=1S/C55H48ClF3N10O6/c56-48-34(23-60-22-30-18-41(49-61-14-17-66(49)26-30)32-4-6-38-35(20-32)28-68(53(38)74)43-8-10-46(70)63-51(43)72)2-1-3-40(48)45-24-62-50-42(19-31(27-67(45)50)25-65-15-12-37(13-16-65)55(57,58)59)33-5-7-39-36(21-33)29-69(54(39)75)44-9-11-47(71)64-52(44)73/h1-7,14,17-21,24,26-27,37,43-44,60H,8-13,15-16,22-23,25,28-29H2,(H,63,70,72)(H,64,71,73)
InChIKeyAYNJPWOMKYPBJV-UHFFFAOYSA-N
MW1037.50 g/mol
LogP7.22
Rot. Bonds11

About 3-[6-[6-[[[2-chloro-3-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[6-[[[2-chloro-3-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 169206291) has the molecular formula C55H48ClF3N10O6 and a molecular weight of 1037.50 g/mol. Its IUPAC name is 3-[6-[6-[[[2-chloro-3-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[6-[[[2-chloro-3-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID169206291
Molecular FormulaC55H48ClF3N10O6
Molecular Weight1037.50 g/mol
Exact Mass1036.34
IUPAC Name3-[6-[6-[[[2-chloro-3-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(-c4cc(CNCc5cccc(-c6cnc7c(-c8ccc9c(c8)CN(C8CCC(=O)NC8=O)C9=O)cc(CN8CCC(C(F)(F)F)CC8)cn67)c5Cl)cn5ccnc45)ccc3C2=O)C(=O)N1
InChIInChI=1S/C55H48ClF3N10O6/c56-48-34(23-60-22-30-18-41(49-61-14-17-66(49)26-30)32-4-6-38-35(20-32)28-68(53(38)74)43-8-10-46(70)63-51(43)72)2-1-3-40(48)45-24-62-50-42(19-31(27-67(45)50)25-65-15-12-37(13-16-65)55(57,58)59)33-5-7-39-36(21-33)29-69(54(39)75)44-9-11-47(71)64-52(44)73/h1-7,14,17-21,24,26-27,37,43-44,60H,8-13,15-16,22-23,25,28-29H2,(H,63,70,72)(H,64,71,73)
InChIKeyAYNJPWOMKYPBJV-UHFFFAOYSA-N
XLogP7.22
TPSA182.83 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001037.50
LogP ≤ 57.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 3-[6-[6-[[[2-chloro-3-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-oxo-1H-isoindol-2-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

Frequently Asked Questions

What is the IUPAC name of 3-[6-[6-[[[2-chloro-3-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[6-[[[2-chloro-3-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 169206291) is 3-[6-[6-[[[2-chloro-3-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[6-[[[2-chloro-3-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[6-[[[2-chloro-3-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(-c4cc(CNCc5cccc(-c6cnc7c(-c8ccc9c(c8)CN(C8CCC(=O)NC8=O)C9=O)cc(CN8CCC(C(F)(F)F)CC8)cn67)c5Cl)cn5ccnc45)ccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[6-[6-[[[2-chloro-3-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is AYNJPWOMKYPBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H48ClF3N10O6/c56-48-34(23-60-22-30-18-41(49-61-14-17-66(49)26-30)32-4-6-38-35(20-32)28-68(53(38)74)43-8-10-46(70)63-51(43)72)2-1-3-40(48)45-24-62-50-42(19-31(27-67(45)50)25-65-15-12-37(13-16-65)55(57,58)59)33-5-7-39-36(21-33)29-69(54(39)75)44-9-11-47(71)64-52(44)73/h1-7,14,17-21,24,26-27,37,43-44,60H,8-13,15-16,22-23,25,28-29H2,(H,63,70,72)(H,64,71,73).
What are the key properties of 3-[6-[6-[[[2-chloro-3-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[6-[[[2-chloro-3-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 1037.50 g/mol, XLogP of 7.22, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[6-[[[2-chloro-3-[8-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]phenyl]methylamino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 169206291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).