tert-butyl 4-[6-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate

C26H42BrN3O2Si — CID 58512046

IUPACtert-butyl 4-[6-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(C2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(Br)nc21
InChIInChI=1S/C26H42BrN3O2Si/c1-17(2)33(18(3)4,19(5)6)30-16-22(21-10-11-23(27)28-24(21)30)20-12-14-29(15-13-20)25(31)32-26(7,8)9/h10-11,16-20H,12-15H2,1-9H3
InChIKeyNOGLECXVDBLZKI-UHFFFAOYSA-N
MW536.63 g/mol
LogP7.94
Rot. Bonds5

About tert-butyl 4-[6-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate

tert-butyl 4-[6-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate (PubChem CID 58512046) has the molecular formula C26H42BrN3O2Si and a molecular weight of 536.63 g/mol. Its IUPAC name is tert-butyl 4-[6-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate
PubChem CID58512046
Molecular FormulaC26H42BrN3O2Si
Molecular Weight536.63 g/mol
Exact Mass535.22
IUPAC Nametert-butyl 4-[6-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate
SMILESCC(C)[Si](C(C)C)(C(C)C)n1cc(C2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(Br)nc21
InChIInChI=1S/C26H42BrN3O2Si/c1-17(2)33(18(3)4,19(5)6)30-16-22(21-10-11-23(27)28-24(21)30)20-12-14-29(15-13-20)25(31)32-26(7,8)9/h10-11,16-20H,12-15H2,1-9H3
InChIKeyNOGLECXVDBLZKI-UHFFFAOYSA-N
XLogP7.94
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.63
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[5-[[3-(1-methylpiperidin-4-yl)-1-tri(propan-2-yl)silylindol-6-yl]amino]-1-tri(propan-2-yl)silylindol-3-yl]piperidine-1-carboxylate
CID 58512509
tert-butyl 4-(2-methylquinolin-5-yl)piperidine-1-carboxylate
CID 59141009
tert-butyl 4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate
CID 66486974
tert-butyl 4-(4-methoxy-2-propan-2-ylphenyl)piperidine-1-carboxylate
CID 130203154
tert-butyl 4-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]piperidine-1-carboxylate
CID 160911542
tert-butyl 4-(4-hydroxynaphthalen-1-yl)piperidine-1-carboxylate
CID 130377896
tert-butyl 4-(2-amino-5-methylphenyl)piperidine-1-carboxylate
CID 172675049
tert-butyl 4-imidazo[1,2-a]pyridin-2-ylpiperidine-1-carboxylate
CID 168797696
tert-butyl 4-(2-iodo-1-methylimidazol-4-yl)piperidine-1-carboxylate
CID 129139631
tert-butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate
CID 46839930
tert-butyl 4-(4-methoxy-1-methylimidazol-2-yl)piperidine-1-carboxylate
CID 68570559
tert-butyl 4-[4-bromo-2-(tert-butylamino)phenyl]piperidine-1-carboxylate
CID 170437093

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate (CID 58512046) is tert-butyl 4-[6-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate is CC(C)[Si](C(C)C)(C(C)C)n1cc(C2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(Br)nc21.
What is the InChIKey of tert-butyl 4-[6-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate?
The InChIKey is NOGLECXVDBLZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42BrN3O2Si/c1-17(2)33(18(3)4,19(5)6)30-16-22(21-10-11-23(27)28-24(21)30)20-12-14-29(15-13-20)25(31)32-26(7,8)9/h10-11,16-20H,12-15H2,1-9H3.
What are the key properties of tert-butyl 4-[6-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate?
tert-butyl 4-[6-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate has a molecular weight of 536.63 g/mol, XLogP of 7.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-bromo-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 58512046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).