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

C25H30N4OSi — CID 177316408

IUPAC3-[1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-amine
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(-n2c(-c3cccnc3N)cc3cnccc32)cc1
InChIInChI=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)
InChIKeyXVIXKIUXYZKMBH-UHFFFAOYSA-N
MW430.63 g/mol
LogP6.19
Rot. Bonds5

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 Name3-[1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-amine
PubChem CID177316408
Molecular FormulaC25H30N4OSi
Molecular Weight430.63 g/mol
Exact Mass430.22
IUPAC Name3-[1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-amine
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(-n2c(-c3cccnc3N)cc3cnccc32)cc1
InChIInChI=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)
InChIKeyXVIXKIUXYZKMBH-UHFFFAOYSA-N
XLogP6.19
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.63
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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).