2-[[4-bromo-2-(3H-isoindol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-[2-(3H-isoindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;4-[2-(3H-isoindol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine

C67H68BrN13O2Si2 — CID 123455597

About 2-[[4-bromo-2-(3H-isoindol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-[2-(3H-isoindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;4-[2-(3H-isoindol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine

2-[[4-bromo-2-(3H-isoindol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-[2-(3H-isoindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;4-[2-(3H-isoindol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine (PubChem CID 123455597) has the molecular formula C67H68BrN13O2Si2 and a molecular weight of 1223.45 g/mol. Its IUPAC name is 2-[[4-bromo-2-(3H-isoindol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-[2-(3H-isoindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;4-[2-(3H-isoindol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 2-[[4-bromo-2-(3H-isoindol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-[2-(3H-isoindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;4-[2-(3H-isoindol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine
• PubChem CID: 123455597
• Molecular Formula: C67H68BrN13O2Si2
• Molecular Weight: 1223.45 g/mol
• Exact Mass: 1221.43
• IUPAC Name: 2-[[4-bromo-2-(3H-isoindol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-[2-(3H-isoindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;4-[2-(3H-isoindol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine
• SMILES: C[Si](C)(C)CCOCn1c(-c2ccc3c(c2)CN=C3)cc2c(-c3ccnc(N)c3)ccnc21.C[Si](C)(C)CCOCn1c(-c2ccc3c(c2)CN=C3)cc2c(Br)ccnc21.Nc1cc(-c2ccnc3[nH]c(-c4ccc5c(c4)CN=C5)cc23)ccn1
• InChI: InChI=1S/C26H29N5OSi.C21H24BrN3OSi.C20H15N5/c1-33(2,3)11-10-32-17-31-24(19-4-5-20-15-28-16-21(20)12-19)14-23-22(7-9-30-26(23)31)18-6-8-29-25(27)13-18;1-27(2,3)9-8-26-14-25-20(11-18-19(22)6-7-24-21(18)25)15-4-5-16-12-23-13-17(16)10-15;21-19-8-12(3-5-23-19)16-4-6-24-20-17(16)9-18(25-20)13-1-2-14-10-22-11-15(14)7-13/h4-9,12-15H,10-11,16-17H2,1-3H3,(H2,27,29);4-7,10-12H,8-9,13-14H2,1-3H3;1-10H,11H2,(H2,21,23)(H,24,25)
• InChIKey: BCOSLWWIDXLRFI-UHFFFAOYSA-N
• XLogP: 15.11
• TPSA: 197.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1223.45
LogP ≤ 5	15.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-bromo-2-(3H-isoindol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-[2-(3H-isoindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;4-[2-(3H-isoindol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine?

The IUPAC name of 2-[[4-bromo-2-(3H-isoindol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-[2-(3H-isoindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;4-[2-(3H-isoindol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine (CID 123455597) is 2-[[4-bromo-2-(3H-isoindol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-[2-(3H-isoindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;4-[2-(3H-isoindol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine.

What is the SMILES notation for 2-[[4-bromo-2-(3H-isoindol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-[2-(3H-isoindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;4-[2-(3H-isoindol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine?

The canonical SMILES for 2-[[4-bromo-2-(3H-isoindol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-[2-(3H-isoindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;4-[2-(3H-isoindol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine is C[Si](C)(C)CCOCn1c(-c2ccc3c(c2)CN=C3)cc2c(-c3ccnc(N)c3)ccnc21.C[Si](C)(C)CCOCn1c(-c2ccc3c(c2)CN=C3)cc2c(Br)ccnc21.Nc1cc(-c2ccnc3[nH]c(-c4ccc5c(c4)CN=C5)cc23)ccn1.

What is the InChIKey of 2-[[4-bromo-2-(3H-isoindol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-[2-(3H-isoindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;4-[2-(3H-isoindol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine?

The InChIKey is BCOSLWWIDXLRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5OSi.C21H24BrN3OSi.C20H15N5/c1-33(2,3)11-10-32-17-31-24(19-4-5-20-15-28-16-21(20)12-19)14-23-22(7-9-30-26(23)31)18-6-8-29-25(27)13-18;1-27(2,3)9-8-26-14-25-20(11-18-19(22)6-7-24-21(18)25)15-4-5-16-12-23-13-17(16)10-15;21-19-8-12(3-5-23-19)16-4-6-24-20-17(16)9-18(25-20)13-1-2-14-10-22-11-15(14)7-13/h4-9,12-15H,10-11,16-17H2,1-3H3,(H2,27,29);4-7,10-12H,8-9,13-14H2,1-3H3;1-10H,11H2,(H2,21,23)(H,24,25).

What are the key properties of 2-[[4-bromo-2-(3H-isoindol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-[2-(3H-isoindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;4-[2-(3H-isoindol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine?

2-[[4-bromo-2-(3H-isoindol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-[2-(3H-isoindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;4-[2-(3H-isoindol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine has a molecular weight of 1223.45 g/mol, XLogP of 15.11, 15 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-bromo-2-(3H-isoindol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;4-[2-(3H-isoindol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine;4-[2-(3H-isoindol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine is sourced from PubChem (CID 123455597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).