3-[1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-amine

C25H30N4OSi — CID 177316408

About 3-[1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-amine

3-[1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-amine (PubChem CID 177316408) has the molecular formula C25H30N4OSi and a molecular weight of 430.63 g/mol. Its IUPAC name is 3-[1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-amine
• PubChem CID: 177316408
• Molecular Formula: C25H30N4OSi
• Molecular Weight: 430.63 g/mol
• Exact Mass: 430.22
• IUPAC Name: 3-[1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-amine
• SMILES: CC(C)(C)[Si](C)(C)OCc1ccc(-n2c(-c3cccnc3N)cc3cnccc32)cc1
• InChI: InChI=1S/C25H30N4OSi/c1-25(2,3)31(4,5)30-17-18-8-10-20(11-9-18)29-22-12-14-27-16-19(22)15-23(29)21-7-6-13-28-24(21)26/h6-16H,17H2,1-5H3,(H2,26,28)
• InChIKey: XVIXKIUXYZKMBH-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 65.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.63
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-amine?

The IUPAC name of 3-[1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-amine (CID 177316408) is 3-[1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-amine.

What is the SMILES notation for 3-[1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-amine?

The canonical SMILES for 3-[1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-amine is CC(C)(C)[Si](C)(C)OCc1ccc(-n2c(-c3cccnc3N)cc3cnccc32)cc1.

What is the InChIKey of 3-[1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-amine?

The InChIKey is XVIXKIUXYZKMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4OSi/c1-25(2,3)31(4,5)30-17-18-8-10-20(11-9-18)29-22-12-14-27-16-19(22)15-23(29)21-7-6-13-28-24(21)26/h6-16H,17H2,1-5H3,(H2,26,28).

What are the key properties of 3-[1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-amine?

3-[1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-amine has a molecular weight of 430.63 g/mol, XLogP of 6.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 177316408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).