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

C59H70FN11O5 — CID 168881682

IUPAC3-[6-[[1-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]cyclohexanecarbonyl]piperidin-4-yl]amino]-3-pyridinyl]piperidine-2,6-dione
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)C4CCC(C(=O)N5CCC(Nc6ccc(C7CCC(=O)NC7=O)cn6)CC5)CC4)CC3)nc(Nc3ccccc3F)c21
InChIInChI=1S/C59H70FN11O5/c1-36(2)70-35-62-49-33-48(65-54(53(49)70)64-47-9-5-4-8-46(47)60)39-14-17-45-50(30-39)71(43-31-42(32-43)67-24-6-3-7-25-67)58(76)59(45)22-28-69(29-23-59)57(75)38-12-10-37(11-13-38)56(74)68-26-20-41(21-27-68)63-51-18-15-40(34-61-51)44-16-19-52(72)66-55(44)73/h4-5,8-9,14-15,17-18,30,33-38,41-44H,3,6-7,10-13,16,19-29,31-32H2,1-2H3,(H,61,63)(H,64,65)(H,66,72,73)
InChIKeyXEHZYCLMDGLDIH-UHFFFAOYSA-N
MW1032.28 g/mol
LogP8.61
Rot. Bonds11

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

3-[6-[[1-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]cyclohexanecarbonyl]piperidin-4-yl]amino]-3-pyridinyl]piperidine-2,6-dione (PubChem CID 168881682) has the molecular formula C59H70FN11O5 and a molecular weight of 1032.28 g/mol. Its IUPAC name is 3-[6-[[1-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]cyclohexanecarbonyl]piperidin-4-yl]amino]-3-pyridinyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[[1-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]cyclohexanecarbonyl]piperidin-4-yl]amino]-3-pyridinyl]piperidine-2,6-dione
PubChem CID168881682
Molecular FormulaC59H70FN11O5
Molecular Weight1032.28 g/mol
Exact Mass1031.55
IUPAC Name3-[6-[[1-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]cyclohexanecarbonyl]piperidin-4-yl]amino]-3-pyridinyl]piperidine-2,6-dione
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)C4CCC(C(=O)N5CCC(Nc6ccc(C7CCC(=O)NC7=O)cn6)CC5)CC4)CC3)nc(Nc3ccccc3F)c21
InChIInChI=1S/C59H70FN11O5/c1-36(2)70-35-62-49-33-48(65-54(53(49)70)64-47-9-5-4-8-46(47)60)39-14-17-45-50(30-39)71(43-31-42(32-43)67-24-6-3-7-25-67)58(76)59(45)22-28-69(29-23-59)57(75)38-12-10-37(11-13-38)56(74)68-26-20-41(21-27-68)63-51-18-15-40(34-61-51)44-16-19-52(72)66-55(44)73/h4-5,8-9,14-15,17-18,30,33-38,41-44H,3,6-7,10-13,16,19-29,31-32H2,1-2H3,(H,61,63)(H,64,65)(H,66,72,73)
InChIKeyXEHZYCLMDGLDIH-UHFFFAOYSA-N
XLogP8.61
TPSA178.00 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001032.28
LogP ≤ 58.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 3-[6-[[1-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]cyclohexanecarbonyl]piperidin-4-yl]amino]-3-pyridinyl]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-[[1-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]cyclohexanecarbonyl]piperidin-4-yl]amino]-3-pyridinyl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[[1-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]cyclohexanecarbonyl]piperidin-4-yl]amino]-3-pyridinyl]piperidine-2,6-dione (CID 168881682) is 3-[6-[[1-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]cyclohexanecarbonyl]piperidin-4-yl]amino]-3-pyridinyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[[1-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]cyclohexanecarbonyl]piperidin-4-yl]amino]-3-pyridinyl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[[1-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]cyclohexanecarbonyl]piperidin-4-yl]amino]-3-pyridinyl]piperidine-2,6-dione is CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)C4CCC(C(=O)N5CCC(Nc6ccc(C7CCC(=O)NC7=O)cn6)CC5)CC4)CC3)nc(Nc3ccccc3F)c21.
What is the InChIKey of 3-[6-[[1-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]cyclohexanecarbonyl]piperidin-4-yl]amino]-3-pyridinyl]piperidine-2,6-dione?
The InChIKey is XEHZYCLMDGLDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H70FN11O5/c1-36(2)70-35-62-49-33-48(65-54(53(49)70)64-47-9-5-4-8-46(47)60)39-14-17-45-50(30-39)71(43-31-42(32-43)67-24-6-3-7-25-67)58(76)59(45)22-28-69(29-23-59)57(75)38-12-10-37(11-13-38)56(74)68-26-20-41(21-27-68)63-51-18-15-40(34-61-51)44-16-19-52(72)66-55(44)73/h4-5,8-9,14-15,17-18,30,33-38,41-44H,3,6-7,10-13,16,19-29,31-32H2,1-2H3,(H,61,63)(H,64,65)(H,66,72,73).
What are the key properties of 3-[6-[[1-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]cyclohexanecarbonyl]piperidin-4-yl]amino]-3-pyridinyl]piperidine-2,6-dione?
3-[6-[[1-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]cyclohexanecarbonyl]piperidin-4-yl]amino]-3-pyridinyl]piperidine-2,6-dione has a molecular weight of 1032.28 g/mol, XLogP of 8.61, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[1-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]cyclohexanecarbonyl]piperidin-4-yl]amino]-3-pyridinyl]piperidine-2,6-dione is sourced from PubChem (CID 168881682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).