5-ethyl-4-[4-(4-methylsulfonyloxan-4-yl)-6-[2-[tri(propan-2-yl)silyloxymethyl]-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-one

C34H50N4O6SSi — CID 175213314

About 5-ethyl-4-[4-(4-methylsulfonyloxan-4-yl)-6-[2-[tri(propan-2-yl)silyloxymethyl]-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-one

5-ethyl-4-[4-(4-methylsulfonyloxan-4-yl)-6-[2-[tri(propan-2-yl)silyloxymethyl]-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-one (PubChem CID 175213314) has the molecular formula C34H50N4O6SSi and a molecular weight of 670.95 g/mol. Its IUPAC name is 5-ethyl-4-[4-(4-methylsulfonyloxan-4-yl)-6-[2-[tri(propan-2-yl)silyloxymethyl]-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-one.

Molecular Properties

• Compound Name: 5-ethyl-4-[4-(4-methylsulfonyloxan-4-yl)-6-[2-[tri(propan-2-yl)silyloxymethyl]-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-one
• PubChem CID: 175213314
• Molecular Formula: C34H50N4O6SSi
• Molecular Weight: 670.95 g/mol
• Exact Mass: 670.32
• IUPAC Name: 5-ethyl-4-[4-(4-methylsulfonyloxan-4-yl)-6-[2-[tri(propan-2-yl)silyloxymethyl]-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-one
• SMILES: CCC1COCC(=O)N1c1cc(C2(S(C)(=O)=O)CCOCC2)cc(-c2ccc3[nH]c(CO[Si](C(C)C)(C(C)C)C(C)C)cc3n2)n1
• InChI: InChI=1S/C34H50N4O6SSi/c1-9-27-20-43-21-33(39)38(27)32-17-25(34(45(8,40)41)12-14-42-15-13-34)16-30(37-32)29-11-10-28-31(36-29)18-26(35-28)19-44-46(22(2)3,23(4)5)24(6)7/h10-11,16-18,22-24,27,35H,9,12-15,19-21H2,1-8H3
• InChIKey: RQVGJMJQGAQHIT-UHFFFAOYSA-N
• XLogP: 6.51
• TPSA: 123.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	670.95
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-[4-(4-methylsulfonyloxan-4-yl)-6-[2-[tri(propan-2-yl)silyloxymethyl]-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-one?

The IUPAC name of 5-ethyl-4-[4-(4-methylsulfonyloxan-4-yl)-6-[2-[tri(propan-2-yl)silyloxymethyl]-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-one (CID 175213314) is 5-ethyl-4-[4-(4-methylsulfonyloxan-4-yl)-6-[2-[tri(propan-2-yl)silyloxymethyl]-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-one.

What is the SMILES notation for 5-ethyl-4-[4-(4-methylsulfonyloxan-4-yl)-6-[2-[tri(propan-2-yl)silyloxymethyl]-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-one?

The canonical SMILES for 5-ethyl-4-[4-(4-methylsulfonyloxan-4-yl)-6-[2-[tri(propan-2-yl)silyloxymethyl]-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-one is CCC1COCC(=O)N1c1cc(C2(S(C)(=O)=O)CCOCC2)cc(-c2ccc3[nH]c(CO[Si](C(C)C)(C(C)C)C(C)C)cc3n2)n1.

What is the InChIKey of 5-ethyl-4-[4-(4-methylsulfonyloxan-4-yl)-6-[2-[tri(propan-2-yl)silyloxymethyl]-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-one?

The InChIKey is RQVGJMJQGAQHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50N4O6SSi/c1-9-27-20-43-21-33(39)38(27)32-17-25(34(45(8,40)41)12-14-42-15-13-34)16-30(37-32)29-11-10-28-31(36-29)18-26(35-28)19-44-46(22(2)3,23(4)5)24(6)7/h10-11,16-18,22-24,27,35H,9,12-15,19-21H2,1-8H3.

What are the key properties of 5-ethyl-4-[4-(4-methylsulfonyloxan-4-yl)-6-[2-[tri(propan-2-yl)silyloxymethyl]-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-one?

5-ethyl-4-[4-(4-methylsulfonyloxan-4-yl)-6-[2-[tri(propan-2-yl)silyloxymethyl]-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-one has a molecular weight of 670.95 g/mol, XLogP of 6.51, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-4-[4-(4-methylsulfonyloxan-4-yl)-6-[2-[tri(propan-2-yl)silyloxymethyl]-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-one is sourced from PubChem (CID 175213314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).