4-[[1-[1-[1-[5-[3-[(1S,4S)-5-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C59H58FN15O5 — CID 171629497

IUPAC4-[[1-[1-[1-[5-[3-[(1S,4S)-5-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCc1nc2ccc(-c3ccnc(N)c3)nc2n1-c1ccc(N2C[C@@H]3C[C@H]2CN3CC#Cc2ccc(N3CCC(C(=O)N4CCC(n5cc(CNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)cn5)CC4)CC3)nc2)c(F)c1
InChIInChI=1S/C59H58FN15O5/c1-35-66-48-10-9-46(39-15-20-62-51(61)26-39)67-55(48)74(35)41-8-11-49(45(60)28-41)72-34-42-27-43(72)33-71(42)21-3-4-36-7-13-52(64-29-36)69-22-16-38(17-23-69)57(78)70-24-18-40(19-25-70)73-32-37(31-65-73)30-63-47-6-2-5-44-54(47)59(80)75(58(44)79)50-12-14-53(76)68-56(50)77/h2,5-11,13,15,20,26,28-29,31-32,38,40,42-43,50,63H,12,14,16-19,21-25,27,30,33-34H2,1H3,(H2,61,62)(H,68,76,77)/t42-,43-,50?/m0/s1
InChIKeyFHBFGOCWDZVDBX-UAISOUNUSA-N
MW1076.21 g/mol
LogP5.51
Rot. Bonds11

About 4-[[1-[1-[1-[5-[3-[(1S,4S)-5-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[[1-[1-[1-[5-[3-[(1S,4S)-5-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 171629497) has the molecular formula C59H58FN15O5 and a molecular weight of 1076.21 g/mol. Its IUPAC name is 4-[[1-[1-[1-[5-[3-[(1S,4S)-5-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[[1-[1-[1-[5-[3-[(1S,4S)-5-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID171629497
Molecular FormulaC59H58FN15O5
Molecular Weight1076.21 g/mol
Exact Mass1075.47
IUPAC Name4-[[1-[1-[1-[5-[3-[(1S,4S)-5-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCc1nc2ccc(-c3ccnc(N)c3)nc2n1-c1ccc(N2C[C@@H]3C[C@H]2CN3CC#Cc2ccc(N3CCC(C(=O)N4CCC(n5cc(CNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)cn5)CC4)CC3)nc2)c(F)c1
InChIInChI=1S/C59H58FN15O5/c1-35-66-48-10-9-46(39-15-20-62-51(61)26-39)67-55(48)74(35)41-8-11-49(45(60)28-41)72-34-42-27-43(72)33-71(42)21-3-4-36-7-13-52(64-29-36)69-22-16-38(17-23-69)57(78)70-24-18-40(19-25-70)73-32-37(31-65-73)30-63-47-6-2-5-44-54(47)59(80)75(58(44)79)50-12-14-53(76)68-56(50)77/h2,5-11,13,15,20,26,28-29,31-32,38,40,42-43,50,63H,12,14,16-19,21-25,27,30,33-34H2,1H3,(H2,61,62)(H,68,76,77)/t42-,43-,50?/m0/s1
InChIKeyFHBFGOCWDZVDBX-UAISOUNUSA-N
XLogP5.51
TPSA225.94 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001076.21
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 4-[[1-[1-[1-[5-[3-[(1S,4S)-5-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-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

Related Compounds

4-[[1-[1-[1-[6-[3-[4-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]piperazin-1-yl]prop-1-ynyl]pyrazin-2-yl]piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 171629445
4-[[1-[1-[1-[6-[3-[3-[4-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2,6-difluorophenyl]piperazin-1-yl]azetidin-1-yl]prop-1-ynyl]-3-pyridinyl]piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 171629490
2-[4-[[1-[1-[1-[5-[3-[4-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-(trifluoromethyl)phenyl]piperazin-1-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-1,3-dioxoisoindol-2-yl]-N-formylpentanamide
CID 174336468
4-[[1-[1-(1-benzoylpiperidine-4-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 155469972
2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[1-(oxane-4-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
CID 146884755
N-tert-butyl-4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carboxamide
CID 139535493
2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-(3-fluorocyclobut-2-ene-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
CID 155469828
2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(6-methylpyrazin-2-yl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
CID 157190345
2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-[2-(4-methoxyphenyl)pyridine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
CID 155469877
2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-(1-ethynylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
CID 155469664
4-[[1-[1-(1-aminocyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 155470019
2-(2,6-dioxopiperidin-3-yl)-4-[[1-[1-(1-hydroxycyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
CID 155469813

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[1-[1-[5-[3-[(1S,4S)-5-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-[[1-[1-[1-[5-[3-[(1S,4S)-5-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 171629497) is 4-[[1-[1-[1-[5-[3-[(1S,4S)-5-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-[[1-[1-[1-[5-[3-[(1S,4S)-5-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-[[1-[1-[1-[5-[3-[(1S,4S)-5-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is Cc1nc2ccc(-c3ccnc(N)c3)nc2n1-c1ccc(N2C[C@@H]3C[C@H]2CN3CC#Cc2ccc(N3CCC(C(=O)N4CCC(n5cc(CNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)cn5)CC4)CC3)nc2)c(F)c1.
What is the InChIKey of 4-[[1-[1-[1-[5-[3-[(1S,4S)-5-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is FHBFGOCWDZVDBX-UAISOUNUSA-N. The full InChI is InChI=1S/C59H58FN15O5/c1-35-66-48-10-9-46(39-15-20-62-51(61)26-39)67-55(48)74(35)41-8-11-49(45(60)28-41)72-34-42-27-43(72)33-71(42)21-3-4-36-7-13-52(64-29-36)69-22-16-38(17-23-69)57(78)70-24-18-40(19-25-70)73-32-37(31-65-73)30-63-47-6-2-5-44-54(47)59(80)75(58(44)79)50-12-14-53(76)68-56(50)77/h2,5-11,13,15,20,26,28-29,31-32,38,40,42-43,50,63H,12,14,16-19,21-25,27,30,33-34H2,1H3,(H2,61,62)(H,68,76,77)/t42-,43-,50?/m0/s1.
What are the key properties of 4-[[1-[1-[1-[5-[3-[(1S,4S)-5-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-[[1-[1-[1-[5-[3-[(1S,4S)-5-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 1076.21 g/mol, XLogP of 5.51, 11 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[1-[1-[5-[3-[(1S,4S)-5-[4-[5-(2-amino-4-pyridinyl)-2-methylimidazo[4,5-b]pyridin-3-yl]-2-fluorophenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-1-ynyl]-2-pyridinyl]piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 171629497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).