3-[6-[4-[4-[6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(3S)-3-fluoropiperidin-1-yl]cyclobutyl]-2-oxospiro[indole-3,4'-piperidine]-1'-carbonyl]-4-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione

C56H70FN11O5 — CID 170668521

About 3-[6-[4-[4-[6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(3S)-3-fluoropiperidin-1-yl]cyclobutyl]-2-oxospiro[indole-3,4'-piperidine]-1'-carbonyl]-4-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione

3-[6-[4-[4-[6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(3S)-3-fluoropiperidin-1-yl]cyclobutyl]-2-oxospiro[indole-3,4'-piperidine]-1'-carbonyl]-4-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione (PubChem CID 170668521) has the molecular formula C56H70FN11O5 and a molecular weight of 996.25 g/mol. Its IUPAC name is 3-[6-[4-[4-[6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(3S)-3-fluoropiperidin-1-yl]cyclobutyl]-2-oxospiro[indole-3,4'-piperidine]-1'-carbonyl]-4-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-[4-[4-[6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(3S)-3-fluoropiperidin-1-yl]cyclobutyl]-2-oxospiro[indole-3,4'-piperidine]-1'-carbonyl]-4-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
• PubChem CID: 170668521
• Molecular Formula: C56H70FN11O5
• Molecular Weight: 996.25 g/mol
• Exact Mass: 995.55
• IUPAC Name: 3-[6-[4-[4-[6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(3S)-3-fluoropiperidin-1-yl]cyclobutyl]-2-oxospiro[indole-3,4'-piperidine]-1'-carbonyl]-4-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
• SMILES: CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCC[C@H](F)C5)C3)C(=O)C43CCN(C(=O)C4(C)CCN(C(=O)C5CCN(c6ccc(C7CCC(=O)NC7=O)cn6)CC5)CC4)CC3)nc(NC3CC3)c21
• InChI: InChI=1S/C56H70FN11O5/c1-34(2)67-33-59-45-30-44(61-50(49(45)67)60-39-8-9-39)36-6-11-43-46(27-36)68(41-28-40(29-41)66-20-4-5-38(57)32-66)54(73)56(43)18-25-65(26-19-56)53(72)55(3)16-23-64(24-17-55)52(71)35-14-21-63(22-15-35)47-12-7-37(31-58-47)42-10-13-48(69)62-51(42)70/h6-7,11-12,27,30-31,33-35,38-42H,4-5,8-10,13-26,28-29,32H2,1-3H3,(H,60,61)(H,62,69,70)/t38-,40?,41?,42?/m0/s1
• InChIKey: AIHGZZKOQVERKR-UZHQGQNLSA-N
• XLogP: 6.89
• TPSA: 169.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	996.25
LogP ≤ 5	6.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-[4-[6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(3S)-3-fluoropiperidin-1-yl]cyclobutyl]-2-oxospiro[indole-3,4'-piperidine]-1'-carbonyl]-4-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?

The IUPAC name of 3-[6-[4-[4-[6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(3S)-3-fluoropiperidin-1-yl]cyclobutyl]-2-oxospiro[indole-3,4'-piperidine]-1'-carbonyl]-4-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione (CID 170668521) is 3-[6-[4-[4-[6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(3S)-3-fluoropiperidin-1-yl]cyclobutyl]-2-oxospiro[indole-3,4'-piperidine]-1'-carbonyl]-4-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione.

What is the SMILES notation for 3-[6-[4-[4-[6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(3S)-3-fluoropiperidin-1-yl]cyclobutyl]-2-oxospiro[indole-3,4'-piperidine]-1'-carbonyl]-4-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-[4-[4-[6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(3S)-3-fluoropiperidin-1-yl]cyclobutyl]-2-oxospiro[indole-3,4'-piperidine]-1'-carbonyl]-4-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione is CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCC[C@H](F)C5)C3)C(=O)C43CCN(C(=O)C4(C)CCN(C(=O)C5CCN(c6ccc(C7CCC(=O)NC7=O)cn6)CC5)CC4)CC3)nc(NC3CC3)c21.

What is the InChIKey of 3-[6-[4-[4-[6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(3S)-3-fluoropiperidin-1-yl]cyclobutyl]-2-oxospiro[indole-3,4'-piperidine]-1'-carbonyl]-4-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?

The InChIKey is AIHGZZKOQVERKR-UZHQGQNLSA-N. The full InChI is InChI=1S/C56H70FN11O5/c1-34(2)67-33-59-45-30-44(61-50(49(45)67)60-39-8-9-39)36-6-11-43-46(27-36)68(41-28-40(29-41)66-20-4-5-38(57)32-66)54(73)56(43)18-25-65(26-19-56)53(72)55(3)16-23-64(24-17-55)52(71)35-14-21-63(22-15-35)47-12-7-37(31-58-47)42-10-13-48(69)62-51(42)70/h6-7,11-12,27,30-31,33-35,38-42H,4-5,8-10,13-26,28-29,32H2,1-3H3,(H,60,61)(H,62,69,70)/t38-,40?,41?,42?/m0/s1.

What are the key properties of 3-[6-[4-[4-[6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(3S)-3-fluoropiperidin-1-yl]cyclobutyl]-2-oxospiro[indole-3,4'-piperidine]-1'-carbonyl]-4-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?

3-[6-[4-[4-[6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(3S)-3-fluoropiperidin-1-yl]cyclobutyl]-2-oxospiro[indole-3,4'-piperidine]-1'-carbonyl]-4-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione has a molecular weight of 996.25 g/mol, XLogP of 6.89, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[4-[4-[6-[4-(cyclopropylamino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-1-[3-[(3S)-3-fluoropiperidin-1-yl]cyclobutyl]-2-oxospiro[indole-3,4'-piperidine]-1'-carbonyl]-4-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione is sourced from PubChem (CID 170668521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).