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]oxy-3-pyridinyl]piperidine-2,6-dione

C59H69FN10O6 — CID 168882392

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]oxy-3-pyridinyl]piperidine-2,6-dione
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)C4CCC(C(=O)N5CCC(Oc6ccc(C7CCC(=O)NC7=O)cn6)CC5)CC4)CC3)nc(Nc3ccccc3F)c21
InChIInChI=1S/C59H69FN10O6/c1-36(2)69-35-62-49-33-48(64-54(53(49)69)63-47-9-5-4-8-46(47)60)39-14-17-45-50(30-39)70(42-31-41(32-42)66-24-6-3-7-25-66)58(75)59(45)22-28-68(29-23-59)57(74)38-12-10-37(11-13-38)56(73)67-26-20-43(21-27-67)76-52-19-15-40(34-61-52)44-16-18-51(71)65-55(44)72/h4-5,8-9,14-15,17,19,30,33-38,41-44H,3,6-7,10-13,16,18,20-29,31-32H2,1-2H3,(H,63,64)(H,65,71,72)
InChIKeyOQOPHJNCNNJBRX-UHFFFAOYSA-N
MW1033.26 g/mol
LogP8.58
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]oxy-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]oxy-3-pyridinyl]piperidine-2,6-dione (PubChem CID 168882392) has the molecular formula C59H69FN10O6 and a molecular weight of 1033.26 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]oxy-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]oxy-3-pyridinyl]piperidine-2,6-dione
PubChem CID168882392
Molecular FormulaC59H69FN10O6
Molecular Weight1033.26 g/mol
Exact Mass1032.54
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]oxy-3-pyridinyl]piperidine-2,6-dione
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)C4CCC(C(=O)N5CCC(Oc6ccc(C7CCC(=O)NC7=O)cn6)CC5)CC4)CC3)nc(Nc3ccccc3F)c21
InChIInChI=1S/C59H69FN10O6/c1-36(2)69-35-62-49-33-48(64-54(53(49)69)63-47-9-5-4-8-46(47)60)39-14-17-45-50(30-39)70(42-31-41(32-42)66-24-6-3-7-25-66)58(75)59(45)22-28-68(29-23-59)57(74)38-12-10-37(11-13-38)56(73)67-26-20-43(21-27-67)76-52-19-15-40(34-61-52)44-16-18-51(71)65-55(44)72/h4-5,8-9,14-15,17,19,30,33-38,41-44H,3,6-7,10-13,16,18,20-29,31-32H2,1-2H3,(H,63,64)(H,65,71,72)
InChIKeyOQOPHJNCNNJBRX-UHFFFAOYSA-N
XLogP8.58
TPSA175.20 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001033.26
LogP ≤ 58.58
H-Bond Donors ≤ 52
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]oxy-3-pyridinyl]piperidine-2,6-dione with MolForge

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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]oxy-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]oxy-3-pyridinyl]piperidine-2,6-dione (CID 168882392) 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]oxy-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]oxy-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]oxy-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(Oc6ccc(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]oxy-3-pyridinyl]piperidine-2,6-dione?
The InChIKey is OQOPHJNCNNJBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H69FN10O6/c1-36(2)69-35-62-49-33-48(64-54(53(49)69)63-47-9-5-4-8-46(47)60)39-14-17-45-50(30-39)70(42-31-41(32-42)66-24-6-3-7-25-66)58(75)59(45)22-28-68(29-23-59)57(74)38-12-10-37(11-13-38)56(73)67-26-20-43(21-27-67)76-52-19-15-40(34-61-52)44-16-18-51(71)65-55(44)72/h4-5,8-9,14-15,17,19,30,33-38,41-44H,3,6-7,10-13,16,18,20-29,31-32H2,1-2H3,(H,63,64)(H,65,71,72).
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]oxy-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]oxy-3-pyridinyl]piperidine-2,6-dione has a molecular weight of 1033.26 g/mol, XLogP of 8.58, 11 rotatable bonds, 2 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]oxy-3-pyridinyl]piperidine-2,6-dione is sourced from PubChem (CID 168882392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).