(3R)-3-[6-[4-[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'-yl]-1-oxopropan-2-yl]piperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione

C57H73N11O5 — CID 175902812

About (3R)-3-[6-[4-[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'-yl]-1-oxopropan-2-yl]piperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione

(3R)-3-[6-[4-[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'-yl]-1-oxopropan-2-yl]piperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione (PubChem CID 175902812) has the molecular formula C57H73N11O5 and a molecular weight of 992.28 g/mol. Its IUPAC name is (3R)-3-[6-[4-[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'-yl]-1-oxopropan-2-yl]piperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: (3R)-3-[6-[4-[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'-yl]-1-oxopropan-2-yl]piperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
• PubChem CID: 175902812
• Molecular Formula: C57H73N11O5
• Molecular Weight: 992.28 g/mol
• Exact Mass: 991.58
• IUPAC Name: (3R)-3-[6-[4-[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'-yl]-1-oxopropan-2-yl]piperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
• SMILES: CC(C(=O)N1CCC2(CC1)C(=O)N(C1CC(N3CCCCC3)C1)c1cc(-c3cc4ncn(C(C)C)c4c(NC4CC4)n3)ccc12)C1CCN(C(=O)C2CCN(c3ccc([C@H]4CCC(=O)NC4=O)cn3)CC2)CC1
• InChI: InChI=1S/C57H73N11O5/c1-35(2)67-34-59-47-32-46(61-52(51(47)67)60-41-9-10-41)39-7-12-45-48(29-39)68(43-30-42(31-43)63-21-5-4-6-22-63)56(73)57(45)19-27-66(28-20-57)54(71)36(3)37-15-25-65(26-16-37)55(72)38-17-23-64(24-18-38)49-13-8-40(33-58-49)44-11-14-50(69)62-53(44)70/h7-8,12-13,29,32-38,41-44H,4-6,9-11,14-28,30-31H2,1-3H3,(H,60,61)(H,62,69,70)/t36?,42?,43?,44-/m1/s1
• InChIKey: RVMJAUWMWAIMRY-GPJBIGPHSA-N
• XLogP: 7.18
• TPSA: 169.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	992.28
LogP ≤ 5	7.18
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 (3R)-3-[6-[4-[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'-yl]-1-oxopropan-2-yl]piperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?

The IUPAC name of (3R)-3-[6-[4-[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'-yl]-1-oxopropan-2-yl]piperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione (CID 175902812) is (3R)-3-[6-[4-[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'-yl]-1-oxopropan-2-yl]piperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione.

What is the SMILES notation for (3R)-3-[6-[4-[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'-yl]-1-oxopropan-2-yl]piperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?

The canonical SMILES for (3R)-3-[6-[4-[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'-yl]-1-oxopropan-2-yl]piperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione is CC(C(=O)N1CCC2(CC1)C(=O)N(C1CC(N3CCCCC3)C1)c1cc(-c3cc4ncn(C(C)C)c4c(NC4CC4)n3)ccc12)C1CCN(C(=O)C2CCN(c3ccc([C@H]4CCC(=O)NC4=O)cn3)CC2)CC1.

What is the InChIKey of (3R)-3-[6-[4-[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'-yl]-1-oxopropan-2-yl]piperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?

The InChIKey is RVMJAUWMWAIMRY-GPJBIGPHSA-N. The full InChI is InChI=1S/C57H73N11O5/c1-35(2)67-34-59-47-32-46(61-52(51(47)67)60-41-9-10-41)39-7-12-45-48(29-39)68(43-30-42(31-43)63-21-5-4-6-22-63)56(73)57(45)19-27-66(28-20-57)54(71)36(3)37-15-25-65(26-16-37)55(72)38-17-23-64(24-18-38)49-13-8-40(33-58-49)44-11-14-50(69)62-53(44)70/h7-8,12-13,29,32-38,41-44H,4-6,9-11,14-28,30-31H2,1-3H3,(H,60,61)(H,62,69,70)/t36?,42?,43?,44-/m1/s1.

What are the key properties of (3R)-3-[6-[4-[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'-yl]-1-oxopropan-2-yl]piperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione?

(3R)-3-[6-[4-[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'-yl]-1-oxopropan-2-yl]piperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione has a molecular weight of 992.28 g/mol, XLogP of 7.18, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[6-[4-[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'-yl]-1-oxopropan-2-yl]piperidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione is sourced from PubChem (CID 175902812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).