[3-[(6-chloro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;methane;3-[(6-propan-2-yl-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[3-[(6-propan-2-yl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]silane

C66H96ClN9Si2 — CID 158553199

About [3-[(6-chloro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;methane;3-[(6-propan-2-yl-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[3-[(6-propan-2-yl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]silane

[3-[(6-chloro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;methane;3-[(6-propan-2-yl-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[3-[(6-propan-2-yl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]silane (PubChem CID 158553199) has the molecular formula C66H96ClN9Si2 and a molecular weight of 1107.18 g/mol. Its IUPAC name is [3-[(6-chloro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;methane;3-[(6-propan-2-yl-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[3-[(6-propan-2-yl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]silane.

Molecular Properties

• Compound Name: [3-[(6-chloro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;methane;3-[(6-propan-2-yl-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[3-[(6-propan-2-yl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]silane
• PubChem CID: 158553199
• Molecular Formula: C66H96ClN9Si2
• Molecular Weight: 1107.18 g/mol
• Exact Mass: 1105.70
• IUPAC Name: [3-[(6-chloro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;methane;3-[(6-propan-2-yl-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[3-[(6-propan-2-yl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]silane
• SMILES: C.C.C.CC(C)[Si](C(C)C)(C(C)C)n1cc(Cc2ccc(Cl)nc2)c2cccnc21.CC(C)c1ccc(Cc2c[nH]c3ncccc23)cn1.CC(C)c1ccc(Cc2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncccc23)cn1
• InChI: InChI=1S/C25H37N3Si.C22H30ClN3Si.C16H17N3.3CH4/c1-17(2)24-12-11-21(15-27-24)14-22-16-28(25-23(22)10-9-13-26-25)29(18(3)4,19(5)6)20(7)8;1-15(2)27(16(3)4,17(5)6)26-14-19(20-8-7-11-24-22(20)26)12-18-9-10-21(23)25-13-18;1-11(2)15-6-5-12(9-18-15)8-13-10-19-16-14(13)4-3-7-17-16;;;/h9-13,15-20H,14H2,1-8H3;7-11,13-17H,12H2,1-6H3;3-7,9-11H,8H2,1-2H3,(H,17,19);3*1H4
• InChIKey: HPYUXFBPPZETRL-UHFFFAOYSA-N
• XLogP: 19.45
• TPSA: 102.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1107.18
LogP ≤ 5	19.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[(6-chloro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;methane;3-[(6-propan-2-yl-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[3-[(6-propan-2-yl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]silane?

The IUPAC name of [3-[(6-chloro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;methane;3-[(6-propan-2-yl-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[3-[(6-propan-2-yl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]silane (CID 158553199) is [3-[(6-chloro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;methane;3-[(6-propan-2-yl-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[3-[(6-propan-2-yl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]silane.

What is the SMILES notation for [3-[(6-chloro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;methane;3-[(6-propan-2-yl-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[3-[(6-propan-2-yl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]silane?

The canonical SMILES for [3-[(6-chloro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;methane;3-[(6-propan-2-yl-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[3-[(6-propan-2-yl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]silane is C.C.C.CC(C)[Si](C(C)C)(C(C)C)n1cc(Cc2ccc(Cl)nc2)c2cccnc21.CC(C)c1ccc(Cc2c[nH]c3ncccc23)cn1.CC(C)c1ccc(Cc2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncccc23)cn1.

What is the InChIKey of [3-[(6-chloro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;methane;3-[(6-propan-2-yl-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[3-[(6-propan-2-yl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]silane?

The InChIKey is HPYUXFBPPZETRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3Si.C22H30ClN3Si.C16H17N3.3CH4/c1-17(2)24-12-11-21(15-27-24)14-22-16-28(25-23(22)10-9-13-26-25)29(18(3)4,19(5)6)20(7)8;1-15(2)27(16(3)4,17(5)6)26-14-19(20-8-7-11-24-22(20)26)12-18-9-10-21(23)25-13-18;1-11(2)15-6-5-12(9-18-15)8-13-10-19-16-14(13)4-3-7-17-16;;;/h9-13,15-20H,14H2,1-8H3;7-11,13-17H,12H2,1-6H3;3-7,9-11H,8H2,1-2H3,(H,17,19);3*1H4.

What are the key properties of [3-[(6-chloro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;methane;3-[(6-propan-2-yl-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[3-[(6-propan-2-yl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]silane?

[3-[(6-chloro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;methane;3-[(6-propan-2-yl-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[3-[(6-propan-2-yl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]silane has a molecular weight of 1107.18 g/mol, XLogP of 19.45, 16 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(6-chloro-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;methane;3-[(6-propan-2-yl-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine;tri(propan-2-yl)-[3-[(6-propan-2-yl-3-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-1-yl]silane is sourced from PubChem (CID 158553199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).