2-(2,6-dioxopiperidin-3-yl)-5-[4-[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]-3-methylbenzoyl]piperazin-1-yl]isoindole-1,3-dione

C62H64FN11O7 — CID 168882202

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-[4-[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]-3-methylbenzoyl]piperazin-1-yl]isoindole-1,3-dione
SMILESCc1cc(C(=O)N2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)ccc1C(=O)N1CCC2(CC1)C(=O)N(C1CC(N3CCCCC3)C1)c1cc(-c3cc4ncn(C(C)C)c4c(Nc4ccccc4F)n3)ccc12
InChIInChI=1S/C62H64FN11O7/c1-36(2)72-35-64-50-34-49(66-55(54(50)72)65-48-10-6-5-9-47(48)63)38-12-16-46-52(30-38)73(42-31-41(32-42)68-21-7-4-8-22-68)61(81)62(46)19-23-70(24-20-62)58(78)43-14-11-39(29-37(43)3)57(77)71-27-25-69(26-28-71)40-13-15-44-45(33-40)60(80)74(59(44)79)51-17-18-53(75)67-56(51)76/h5-6,9-16,29-30,33-36,41-42,51H,4,7-8,17-28,31-32H2,1-3H3,(H,65,66)(H,67,75,76)
InChIKeyJQGZYCWRGZQGBI-UHFFFAOYSA-N
MW1094.26 g/mol
LogP7.77
Rot. Bonds10

About 2-(2,6-dioxopiperidin-3-yl)-5-[4-[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]-3-methylbenzoyl]piperazin-1-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[4-[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]-3-methylbenzoyl]piperazin-1-yl]isoindole-1,3-dione (PubChem CID 168882202) has the molecular formula C62H64FN11O7 and a molecular weight of 1094.26 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[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]-3-methylbenzoyl]piperazin-1-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-[4-[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]-3-methylbenzoyl]piperazin-1-yl]isoindole-1,3-dione
PubChem CID168882202
Molecular FormulaC62H64FN11O7
Molecular Weight1094.26 g/mol
Exact Mass1093.50
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[4-[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]-3-methylbenzoyl]piperazin-1-yl]isoindole-1,3-dione
SMILESCc1cc(C(=O)N2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)ccc1C(=O)N1CCC2(CC1)C(=O)N(C1CC(N3CCCCC3)C1)c1cc(-c3cc4ncn(C(C)C)c4c(Nc4ccccc4F)n3)ccc12
InChIInChI=1S/C62H64FN11O7/c1-36(2)72-35-64-50-34-49(66-55(54(50)72)65-48-10-6-5-9-47(48)63)38-12-16-46-52(30-38)73(42-31-41(32-42)68-21-7-4-8-22-68)61(81)62(46)19-23-70(24-20-62)58(78)43-14-11-39(29-37(43)3)57(77)71-27-25-69(26-28-71)40-13-15-44-45(33-40)60(80)74(59(44)79)51-17-18-53(75)67-56(51)76/h5-6,9-16,29-30,33-36,41-42,51H,4,7-8,17-28,31-32H2,1-3H3,(H,65,66)(H,67,75,76)
InChIKeyJQGZYCWRGZQGBI-UHFFFAOYSA-N
XLogP7.77
TPSA193.70 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001094.26
LogP ≤ 57.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-5-[4-[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]-3-methylbenzoyl]piperazin-1-yl]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[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]-3-methylbenzoyl]piperazin-1-yl]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[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]-3-methylbenzoyl]piperazin-1-yl]isoindole-1,3-dione (CID 168882202) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[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]-3-methylbenzoyl]piperazin-1-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[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]-3-methylbenzoyl]piperazin-1-yl]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[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]-3-methylbenzoyl]piperazin-1-yl]isoindole-1,3-dione is Cc1cc(C(=O)N2CCN(c3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)ccc1C(=O)N1CCC2(CC1)C(=O)N(C1CC(N3CCCCC3)C1)c1cc(-c3cc4ncn(C(C)C)c4c(Nc4ccccc4F)n3)ccc12.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[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]-3-methylbenzoyl]piperazin-1-yl]isoindole-1,3-dione?
The InChIKey is JQGZYCWRGZQGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H64FN11O7/c1-36(2)72-35-64-50-34-49(66-55(54(50)72)65-48-10-6-5-9-47(48)63)38-12-16-46-52(30-38)73(42-31-41(32-42)68-21-7-4-8-22-68)61(81)62(46)19-23-70(24-20-62)58(78)43-14-11-39(29-37(43)3)57(77)71-27-25-69(26-28-71)40-13-15-44-45(33-40)60(80)74(59(44)79)51-17-18-53(75)67-56(51)76/h5-6,9-16,29-30,33-36,41-42,51H,4,7-8,17-28,31-32H2,1-3H3,(H,65,66)(H,67,75,76).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[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]-3-methylbenzoyl]piperazin-1-yl]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-[4-[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]-3-methylbenzoyl]piperazin-1-yl]isoindole-1,3-dione has a molecular weight of 1094.26 g/mol, XLogP of 7.77, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[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]-3-methylbenzoyl]piperazin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 168882202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).