3-[4-[[4-[(3R)-3-[6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]pyrrolidine-1-carbonyl]cyclohexyl]amino]phenyl]piperidine-2,6-dione

C58H68FN11O5 — CID 168882186

IUPAC3-[4-[[4-[(3R)-3-[6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]pyrrolidine-1-carbonyl]cyclohexyl]amino]phenyl]piperidine-2,6-dione
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)[C@@H]4CCN(C(=O)C5CCC(Nc6ccc(C7CCC(=O)NC7=O)cc6)CC5)C4)CC3)nc(Nc3ccncc3F)c21
InChIInChI=1S/C58H68FN11O5/c1-35(2)69-34-61-49-31-48(64-53(52(49)69)63-47-18-22-60-32-46(47)59)38-10-16-45-50(28-38)70(43-29-42(30-43)66-23-4-3-5-24-66)57(75)58(45)20-26-67(27-21-58)56(74)39-19-25-68(33-39)55(73)37-8-13-41(14-9-37)62-40-11-6-36(7-12-40)44-15-17-51(71)65-54(44)72/h6-7,10-12,16,18,22,28,31-32,34-35,37,39,41-44,62H,3-5,8-9,13-15,17,19-21,23-27,29-30,33H2,1-2H3,(H,60,63,64)(H,65,71,72)/t37?,39-,41?,42?,43?,44?/m1/s1
InChIKeyHSUITNLAODIHKV-QRUBXPHZSA-N
MW1018.25 g/mol
LogP8.22
Rot. Bonds11

About 3-[4-[[4-[(3R)-3-[6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]pyrrolidine-1-carbonyl]cyclohexyl]amino]phenyl]piperidine-2,6-dione

3-[4-[[4-[(3R)-3-[6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]pyrrolidine-1-carbonyl]cyclohexyl]amino]phenyl]piperidine-2,6-dione (PubChem CID 168882186) has the molecular formula C58H68FN11O5 and a molecular weight of 1018.25 g/mol. Its IUPAC name is 3-[4-[[4-[(3R)-3-[6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]pyrrolidine-1-carbonyl]cyclohexyl]amino]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[[4-[(3R)-3-[6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]pyrrolidine-1-carbonyl]cyclohexyl]amino]phenyl]piperidine-2,6-dione
PubChem CID168882186
Molecular FormulaC58H68FN11O5
Molecular Weight1018.25 g/mol
Exact Mass1017.54
IUPAC Name3-[4-[[4-[(3R)-3-[6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]pyrrolidine-1-carbonyl]cyclohexyl]amino]phenyl]piperidine-2,6-dione
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)[C@@H]4CCN(C(=O)C5CCC(Nc6ccc(C7CCC(=O)NC7=O)cc6)CC5)C4)CC3)nc(Nc3ccncc3F)c21
InChIInChI=1S/C58H68FN11O5/c1-35(2)69-34-61-49-31-48(64-53(52(49)69)63-47-18-22-60-32-46(47)59)38-10-16-45-50(28-38)70(43-29-42(30-43)66-23-4-3-5-24-66)57(75)58(45)20-26-67(27-21-58)56(74)39-19-25-68(33-39)55(73)37-8-13-41(14-9-37)62-40-11-6-36(7-12-40)44-15-17-51(71)65-54(44)72/h6-7,10-12,16,18,22,28,31-32,34-35,37,39,41-44,62H,3-5,8-9,13-15,17,19-21,23-27,29-30,33H2,1-2H3,(H,60,63,64)(H,65,71,72)/t37?,39-,41?,42?,43?,44?/m1/s1
InChIKeyHSUITNLAODIHKV-QRUBXPHZSA-N
XLogP8.22
TPSA178.00 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001018.25
LogP ≤ 58.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 3-[4-[[4-[(3R)-3-[6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]pyrrolidine-1-carbonyl]cyclohexyl]amino]phenyl]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-[4-[[4-[(3R)-3-[6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]pyrrolidine-1-carbonyl]cyclohexyl]amino]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[[4-[(3R)-3-[6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]pyrrolidine-1-carbonyl]cyclohexyl]amino]phenyl]piperidine-2,6-dione (CID 168882186) is 3-[4-[[4-[(3R)-3-[6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]pyrrolidine-1-carbonyl]cyclohexyl]amino]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[[4-[(3R)-3-[6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]pyrrolidine-1-carbonyl]cyclohexyl]amino]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[[4-[(3R)-3-[6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]pyrrolidine-1-carbonyl]cyclohexyl]amino]phenyl]piperidine-2,6-dione is CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)[C@@H]4CCN(C(=O)C5CCC(Nc6ccc(C7CCC(=O)NC7=O)cc6)CC5)C4)CC3)nc(Nc3ccncc3F)c21.
What is the InChIKey of 3-[4-[[4-[(3R)-3-[6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]pyrrolidine-1-carbonyl]cyclohexyl]amino]phenyl]piperidine-2,6-dione?
The InChIKey is HSUITNLAODIHKV-QRUBXPHZSA-N. The full InChI is InChI=1S/C58H68FN11O5/c1-35(2)69-34-61-49-31-48(64-53(52(49)69)63-47-18-22-60-32-46(47)59)38-10-16-45-50(28-38)70(43-29-42(30-43)66-23-4-3-5-24-66)57(75)58(45)20-26-67(27-21-58)56(74)39-19-25-68(33-39)55(73)37-8-13-41(14-9-37)62-40-11-6-36(7-12-40)44-15-17-51(71)65-54(44)72/h6-7,10-12,16,18,22,28,31-32,34-35,37,39,41-44,62H,3-5,8-9,13-15,17,19-21,23-27,29-30,33H2,1-2H3,(H,60,63,64)(H,65,71,72)/t37?,39-,41?,42?,43?,44?/m1/s1.
What are the key properties of 3-[4-[[4-[(3R)-3-[6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]pyrrolidine-1-carbonyl]cyclohexyl]amino]phenyl]piperidine-2,6-dione?
3-[4-[[4-[(3R)-3-[6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]pyrrolidine-1-carbonyl]cyclohexyl]amino]phenyl]piperidine-2,6-dione has a molecular weight of 1018.25 g/mol, XLogP of 8.22, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-[(3R)-3-[6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]pyrrolidine-1-carbonyl]cyclohexyl]amino]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 168882186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).