(3R)-3-[1-[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]piperidine-1-carbonyl]cyclohexanecarbonyl]-3,4-dihydro-2H-quinolin-6-yl]piperidine-2,6-dione

C64H75FN10O6 — CID 175902854

About (3R)-3-[1-[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]piperidine-1-carbonyl]cyclohexanecarbonyl]-3,4-dihydro-2H-quinolin-6-yl]piperidine-2,6-dione

(3R)-3-[1-[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]piperidine-1-carbonyl]cyclohexanecarbonyl]-3,4-dihydro-2H-quinolin-6-yl]piperidine-2,6-dione (PubChem CID 175902854) has the molecular formula C64H75FN10O6 and a molecular weight of 1099.37 g/mol. Its IUPAC name is (3R)-3-[1-[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]piperidine-1-carbonyl]cyclohexanecarbonyl]-3,4-dihydro-2H-quinolin-6-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: (3R)-3-[1-[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]piperidine-1-carbonyl]cyclohexanecarbonyl]-3,4-dihydro-2H-quinolin-6-yl]piperidine-2,6-dione
• PubChem CID: 175902854
• Molecular Formula: C64H75FN10O6
• Molecular Weight: 1099.37 g/mol
• Exact Mass: 1098.59
• IUPAC Name: (3R)-3-[1-[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]piperidine-1-carbonyl]cyclohexanecarbonyl]-3,4-dihydro-2H-quinolin-6-yl]piperidine-2,6-dione
• SMILES: CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)C4CCN(C(=O)C5CCC(C(=O)N6CCCc7cc([C@H]8CCC(=O)NC8=O)ccc76)CC5)CC4)CC3)nc(Nc3ccccc3F)c21
• InChI: InChI=1S/C64H75FN10O6/c1-39(2)74-38-66-53-37-52(68-58(57(53)74)67-51-11-5-4-10-50(51)65)44-16-19-49-55(34-44)75(47-35-46(36-47)70-26-6-3-7-27-70)63(81)64(49)24-31-72(32-25-64)61(79)42-22-29-71(30-23-42)60(78)40-12-14-41(15-13-40)62(80)73-28-8-9-45-33-43(17-20-54(45)73)48-18-21-56(76)69-59(48)77/h4-5,10-11,16-17,19-20,33-34,37-42,46-48H,3,6-9,12-15,18,21-32,35-36H2,1-2H3,(H,67,68)(H,69,76,77)/t40?,41?,46?,47?,48-/m1/s1
• InChIKey: VNGDIOAIWOSSIK-SYTBIZHNSA-N
• XLogP: 9.33
• TPSA: 173.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1099.37
LogP ≤ 5	9.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[1-[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]piperidine-1-carbonyl]cyclohexanecarbonyl]-3,4-dihydro-2H-quinolin-6-yl]piperidine-2,6-dione?

The IUPAC name of (3R)-3-[1-[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]piperidine-1-carbonyl]cyclohexanecarbonyl]-3,4-dihydro-2H-quinolin-6-yl]piperidine-2,6-dione (CID 175902854) is (3R)-3-[1-[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]piperidine-1-carbonyl]cyclohexanecarbonyl]-3,4-dihydro-2H-quinolin-6-yl]piperidine-2,6-dione.

What is the SMILES notation for (3R)-3-[1-[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]piperidine-1-carbonyl]cyclohexanecarbonyl]-3,4-dihydro-2H-quinolin-6-yl]piperidine-2,6-dione?

The canonical SMILES for (3R)-3-[1-[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]piperidine-1-carbonyl]cyclohexanecarbonyl]-3,4-dihydro-2H-quinolin-6-yl]piperidine-2,6-dione is CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)C4CCN(C(=O)C5CCC(C(=O)N6CCCc7cc([C@H]8CCC(=O)NC8=O)ccc76)CC5)CC4)CC3)nc(Nc3ccccc3F)c21.

What is the InChIKey of (3R)-3-[1-[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]piperidine-1-carbonyl]cyclohexanecarbonyl]-3,4-dihydro-2H-quinolin-6-yl]piperidine-2,6-dione?

The InChIKey is VNGDIOAIWOSSIK-SYTBIZHNSA-N. The full InChI is InChI=1S/C64H75FN10O6/c1-39(2)74-38-66-53-37-52(68-58(57(53)74)67-51-11-5-4-10-50(51)65)44-16-19-49-55(34-44)75(47-35-46(36-47)70-26-6-3-7-27-70)63(81)64(49)24-31-72(32-25-64)61(79)42-22-29-71(30-23-42)60(78)40-12-14-41(15-13-40)62(80)73-28-8-9-45-33-43(17-20-54(45)73)48-18-21-56(76)69-59(48)77/h4-5,10-11,16-17,19-20,33-34,37-42,46-48H,3,6-9,12-15,18,21-32,35-36H2,1-2H3,(H,67,68)(H,69,76,77)/t40?,41?,46?,47?,48-/m1/s1.

What are the key properties of (3R)-3-[1-[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]piperidine-1-carbonyl]cyclohexanecarbonyl]-3,4-dihydro-2H-quinolin-6-yl]piperidine-2,6-dione?

(3R)-3-[1-[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]piperidine-1-carbonyl]cyclohexanecarbonyl]-3,4-dihydro-2H-quinolin-6-yl]piperidine-2,6-dione has a molecular weight of 1099.37 g/mol, XLogP of 9.33, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[1-[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]piperidine-1-carbonyl]cyclohexanecarbonyl]-3,4-dihydro-2H-quinolin-6-yl]piperidine-2,6-dione is sourced from PubChem (CID 175902854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).