5-[[8-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]benzoyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C57H57FN10O8 — CID 170735893

IUPAC5-[[8-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]benzoyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCc1c(F)cc2[nH]ncc2c1-c1c(C2CC2)cc2c(N3C[C@@H]4C[C@H]3CN4)nc(OC3CCOCC3)nc2c1OCc1ccc(C(=O)N2C3CCC2CN(Cc2ccc4c(c2)C(=O)N(C2CCC(=O)NC2=O)C4=O)C3)cc1
InChIInChI=1S/C57H57FN10O8/c1-29-44(58)21-45-43(23-60-64-45)48(29)49-40(32-7-8-32)20-42-50(62-57(76-38-14-16-74-17-15-38)63-52(42)66-25-34-19-37(66)22-59-34)51(49)75-28-30-2-5-33(6-3-30)54(71)67-35-9-10-36(67)27-65(26-35)24-31-4-11-39-41(18-31)56(73)68(55(39)72)46-12-13-47(69)61-53(46)70/h2-6,11,18,20-21,23,32,34-38,46,59H,7-10,12-17,19,22,24-28H2,1H3,(H,60,64)(H,61,69,70)/t34-,35?,36?,37-,46?/m0/s1
InChIKeySACOPDDBKYFNHQ-FFTMJSIKSA-N
MW1029.14 g/mol
LogP6.08
Rot. Bonds12

About 5-[[8-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]benzoyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[[8-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]benzoyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 170735893) has the molecular formula C57H57FN10O8 and a molecular weight of 1029.14 g/mol. Its IUPAC name is 5-[[8-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]benzoyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-[[8-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]benzoyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID170735893
Molecular FormulaC57H57FN10O8
Molecular Weight1029.14 g/mol
Exact Mass1028.43
IUPAC Name5-[[8-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]benzoyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCc1c(F)cc2[nH]ncc2c1-c1c(C2CC2)cc2c(N3C[C@@H]4C[C@H]3CN4)nc(OC3CCOCC3)nc2c1OCc1ccc(C(=O)N2C3CCC2CN(Cc2ccc4c(c2)C(=O)N(C2CCC(=O)NC2=O)C4=O)C3)cc1
InChIInChI=1S/C57H57FN10O8/c1-29-44(58)21-45-43(23-60-64-45)48(29)49-40(32-7-8-32)20-42-50(62-57(76-38-14-16-74-17-15-38)63-52(42)66-25-34-19-37(66)22-59-34)51(49)75-28-30-2-5-33(6-3-30)54(71)67-35-9-10-36(67)27-65(26-35)24-31-4-11-39-41(18-31)56(73)68(55(39)72)46-12-13-47(69)61-53(46)70/h2-6,11,18,20-21,23,32,34-38,46,59H,7-10,12-17,19,22,24-28H2,1H3,(H,60,64)(H,61,69,70)/t34-,35?,36?,37-,46?/m0/s1
InChIKeySACOPDDBKYFNHQ-FFTMJSIKSA-N
XLogP6.08
TPSA204.52 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001029.14
LogP ≤ 56.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 5-[[8-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]benzoyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-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

Frequently Asked Questions

What is the IUPAC name of 5-[[8-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]benzoyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 5-[[8-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]benzoyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 170735893) is 5-[[8-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]benzoyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-[[8-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]benzoyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5-[[8-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]benzoyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is Cc1c(F)cc2[nH]ncc2c1-c1c(C2CC2)cc2c(N3C[C@@H]4C[C@H]3CN4)nc(OC3CCOCC3)nc2c1OCc1ccc(C(=O)N2C3CCC2CN(Cc2ccc4c(c2)C(=O)N(C2CCC(=O)NC2=O)C4=O)C3)cc1.
What is the InChIKey of 5-[[8-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]benzoyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is SACOPDDBKYFNHQ-FFTMJSIKSA-N. The full InChI is InChI=1S/C57H57FN10O8/c1-29-44(58)21-45-43(23-60-64-45)48(29)49-40(32-7-8-32)20-42-50(62-57(76-38-14-16-74-17-15-38)63-52(42)66-25-34-19-37(66)22-59-34)51(49)75-28-30-2-5-33(6-3-30)54(71)67-35-9-10-36(67)27-65(26-35)24-31-4-11-39-41(18-31)56(73)68(55(39)72)46-12-13-47(69)61-53(46)70/h2-6,11,18,20-21,23,32,34-38,46,59H,7-10,12-17,19,22,24-28H2,1H3,(H,60,64)(H,61,69,70)/t34-,35?,36?,37-,46?/m0/s1.
What are the key properties of 5-[[8-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]benzoyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
5-[[8-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]benzoyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 1029.14 g/mol, XLogP of 6.08, 12 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[8-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]benzoyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 170735893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).