3-[6-[4-[1-[6-[4-(cyclopropylamino)-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-4-carbonyl]piperazin-1-yl]-1,2-dihydropyridin-3-yl]piperidine-2,6-dione

C54H70N12O5 — CID 168881735

About 3-[6-[4-[1-[6-[4-(cyclopropylamino)-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-4-carbonyl]piperazin-1-yl]-1,2-dihydropyridin-3-yl]piperidine-2,6-dione

3-[6-[4-[1-[6-[4-(cyclopropylamino)-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-4-carbonyl]piperazin-1-yl]-1,2-dihydropyridin-3-yl]piperidine-2,6-dione (PubChem CID 168881735) has the molecular formula C54H70N12O5 and a molecular weight of 967.23 g/mol. Its IUPAC name is 3-[6-[4-[1-[6-[4-(cyclopropylamino)-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-4-carbonyl]piperazin-1-yl]-1,2-dihydropyridin-3-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-[4-[1-[6-[4-(cyclopropylamino)-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-4-carbonyl]piperazin-1-yl]-1,2-dihydropyridin-3-yl]piperidine-2,6-dione
• PubChem CID: 168881735
• Molecular Formula: C54H70N12O5
• Molecular Weight: 967.23 g/mol
• Exact Mass: 966.56
• IUPAC Name: 3-[6-[4-[1-[6-[4-(cyclopropylamino)-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-4-carbonyl]piperazin-1-yl]-1,2-dihydropyridin-3-yl]piperidine-2,6-dione
• SMILES: CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)N4CCC(C(=O)N5CCN(C6=CC=C(C7CCC(=O)NC7=O)CN6)CC5)CC4)CC3)nc(NC3CC3)c21
• InChI: InChI=1S/C54H70N12O5/c1-34(2)65-33-56-44-31-43(58-49(48(44)65)57-38-8-9-38)36-6-11-42-45(28-36)66(40-29-39(30-40)60-18-4-3-5-19-60)52(70)54(42)16-22-64(23-17-54)53(71)63-20-14-35(15-21-63)51(69)62-26-24-61(25-27-62)46-12-7-37(32-55-46)41-10-13-47(67)59-50(41)68/h6-7,11-12,28,31,33-35,38-41,55H,3-5,8-10,13-27,29-30,32H2,1-2H3,(H,57,58)(H,59,67,68)
• InChIKey: DANSATCMTBLZHX-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 171.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	967.23
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	3
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-[1-[6-[4-(cyclopropylamino)-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-4-carbonyl]piperazin-1-yl]-1,2-dihydropyridin-3-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-[4-[1-[6-[4-(cyclopropylamino)-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-4-carbonyl]piperazin-1-yl]-1,2-dihydropyridin-3-yl]piperidine-2,6-dione (CID 168881735) is 3-[6-[4-[1-[6-[4-(cyclopropylamino)-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-4-carbonyl]piperazin-1-yl]-1,2-dihydropyridin-3-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[6-[4-[1-[6-[4-(cyclopropylamino)-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-4-carbonyl]piperazin-1-yl]-1,2-dihydropyridin-3-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-[4-[1-[6-[4-(cyclopropylamino)-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-4-carbonyl]piperazin-1-yl]-1,2-dihydropyridin-3-yl]piperidine-2,6-dione is CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)N4CCC(C(=O)N5CCN(C6=CC=C(C7CCC(=O)NC7=O)CN6)CC5)CC4)CC3)nc(NC3CC3)c21.

What is the InChIKey of 3-[6-[4-[1-[6-[4-(cyclopropylamino)-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-4-carbonyl]piperazin-1-yl]-1,2-dihydropyridin-3-yl]piperidine-2,6-dione?

The InChIKey is DANSATCMTBLZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H70N12O5/c1-34(2)65-33-56-44-31-43(58-49(48(44)65)57-38-8-9-38)36-6-11-42-45(28-36)66(40-29-39(30-40)60-18-4-3-5-19-60)52(70)54(42)16-22-64(23-17-54)53(71)63-20-14-35(15-21-63)51(69)62-26-24-61(25-27-62)46-12-7-37(32-55-46)41-10-13-47(67)59-50(41)68/h6-7,11-12,28,31,33-35,38-41,55H,3-5,8-10,13-27,29-30,32H2,1-2H3,(H,57,58)(H,59,67,68).

What are the key properties of 3-[6-[4-[1-[6-[4-(cyclopropylamino)-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-4-carbonyl]piperazin-1-yl]-1,2-dihydropyridin-3-yl]piperidine-2,6-dione?

3-[6-[4-[1-[6-[4-(cyclopropylamino)-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-4-carbonyl]piperazin-1-yl]-1,2-dihydropyridin-3-yl]piperidine-2,6-dione has a molecular weight of 967.23 g/mol, XLogP of 5.35, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[4-[1-[6-[4-(cyclopropylamino)-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-4-carbonyl]piperazin-1-yl]-1,2-dihydropyridin-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 168881735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).