5-[2-[2-[2-[2-[2-[4-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione

C45H50F2N10O8 — CID 171629345

IUPAC5-[2-[2-[2-[2-[2-[4-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione
SMILESCc1nc2ccc(-c3ccnc(N)c3)nc2n1-c1ccc(N2CCN(CCOCCOCCOCCOCCNc3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)c(F)c1
InChIInChI=1S/C45H50F2N10O8/c1-28-51-36-4-3-35(29-8-9-50-40(48)24-29)52-42(36)56(28)30-2-5-38(34(47)25-30)55-13-11-54(12-14-55)15-17-63-19-21-65-23-22-64-20-18-62-16-10-49-37-27-32-31(26-33(37)46)44(60)57(45(32)61)39-6-7-41(58)53-43(39)59/h2-5,8-9,24-27,39,49H,6-7,10-23H2,1H3,(H2,48,50)(H,53,58,59)
InChIKeyNQSGUHMYHKDLSM-UHFFFAOYSA-N
MW896.95 g/mol
LogP3.35
Rot. Bonds20

About 5-[2-[2-[2-[2-[2-[4-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione

5-[2-[2-[2-[2-[2-[4-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione (PubChem CID 171629345) has the molecular formula C45H50F2N10O8 and a molecular weight of 896.95 g/mol. Its IUPAC name is 5-[2-[2-[2-[2-[2-[4-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione.

Molecular Properties

Compound Name5-[2-[2-[2-[2-[2-[4-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione
PubChem CID171629345
Molecular FormulaC45H50F2N10O8
Molecular Weight896.95 g/mol
Exact Mass896.38
IUPAC Name5-[2-[2-[2-[2-[2-[4-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione
SMILESCc1nc2ccc(-c3ccnc(N)c3)nc2n1-c1ccc(N2CCN(CCOCCOCCOCCOCCNc3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)c(F)c1
InChIInChI=1S/C45H50F2N10O8/c1-28-51-36-4-3-35(29-8-9-50-40(48)24-29)52-42(36)56(28)30-2-5-38(34(47)25-30)55-13-11-54(12-14-55)15-17-63-19-21-65-23-22-64-20-18-62-16-10-49-37-27-32-31(26-33(37)46)44(60)57(45(32)61)39-6-7-41(58)53-43(39)59/h2-5,8-9,24-27,39,49H,6-7,10-23H2,1H3,(H2,48,50)(H,53,58,59)
InChIKeyNQSGUHMYHKDLSM-UHFFFAOYSA-N
XLogP3.35
TPSA208.60 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.95
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 5-[2-[2-[2-[2-[2-[4-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione 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

CID 162366970
CID 162366970
CID 146410727
CID 146410727
CID 146410948
CID 146410948
CID 146410950
CID 146410950
CID 146411074
CID 146411074
CID 155166666
CID 155166666
CID 155166671
CID 155166671
CID 155167033
CID 155167033
CID 162668975
CID 162668975
CID 11295806
CID 11295806
CID 146161288
CID 146161288
CID 146410596
CID 146410596

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[2-[2-[2-[4-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione?
The IUPAC name of 5-[2-[2-[2-[2-[2-[4-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione (CID 171629345) is 5-[2-[2-[2-[2-[2-[4-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione.
What is the SMILES notation for 5-[2-[2-[2-[2-[2-[4-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione?
The canonical SMILES for 5-[2-[2-[2-[2-[2-[4-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione is Cc1nc2ccc(-c3ccnc(N)c3)nc2n1-c1ccc(N2CCN(CCOCCOCCOCCOCCNc3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)c(F)c1.
What is the InChIKey of 5-[2-[2-[2-[2-[2-[4-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione?
The InChIKey is NQSGUHMYHKDLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H50F2N10O8/c1-28-51-36-4-3-35(29-8-9-50-40(48)24-29)52-42(36)56(28)30-2-5-38(34(47)25-30)55-13-11-54(12-14-55)15-17-63-19-21-65-23-22-64-20-18-62-16-10-49-37-27-32-31(26-33(37)46)44(60)57(45(32)61)39-6-7-41(58)53-43(39)59/h2-5,8-9,24-27,39,49H,6-7,10-23H2,1H3,(H2,48,50)(H,53,58,59).
What are the key properties of 5-[2-[2-[2-[2-[2-[4-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione?
5-[2-[2-[2-[2-[2-[4-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione has a molecular weight of 896.95 g/mol, XLogP of 3.35, 20 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[2-[2-[2-[4-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione is sourced from PubChem (CID 171629345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).