1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde;methane

C29H46N4O2Si2 — CID 159870526

IUPAC1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde;methane
SMILESC.CC(C)(C)[Si](C)(C)N1CCc2cc(C=O)cnc21.CC(C)(C)[Si](C)(C)n1ccc2cc(C=O)cnc21
InChIInChI=1S/C14H22N2OSi.C14H20N2OSi.CH4/c2*1-14(2,3)18(4,5)16-7-6-12-8-11(10-17)9-15-13(12)16;/h8-10H,6-7H2,1-5H3;6-10H,1-5H3;1H4
InChIKeyNSHAKCHSMBJFLT-UHFFFAOYSA-N
MW538.89 g/mol
LogP7.60
Rot. Bonds4

About 1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde;methane

1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde;methane (PubChem CID 159870526) has the molecular formula C29H46N4O2Si2 and a molecular weight of 538.89 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde;methane.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde;methane
PubChem CID159870526
Molecular FormulaC29H46N4O2Si2
Molecular Weight538.89 g/mol
Exact Mass538.32
IUPAC Name1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde;methane
SMILESC.CC(C)(C)[Si](C)(C)N1CCc2cc(C=O)cnc21.CC(C)(C)[Si](C)(C)n1ccc2cc(C=O)cnc21
InChIInChI=1S/C14H22N2OSi.C14H20N2OSi.CH4/c2*1-14(2,3)18(4,5)16-7-6-12-8-11(10-17)9-15-13(12)16;/h8-10H,6-7H2,1-5H3;6-10H,1-5H3;1H4
InChIKeyNSHAKCHSMBJFLT-UHFFFAOYSA-N
XLogP7.60
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.89
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxaldehyde
CID 10441960
Piperidin-1-yl-(1-pyridin-2-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
CID 156810838
[1-(1-Ethylimidazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 156811113
N-butyl-3-formyl-N-methyl-1H-pyrrolo[2,3-b]pyridine-1-carboxamide
CID 86621121
1-[(4-Fluorophenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde
CID 59626162
6-(3-Amino-2,6-difluorophenyl)-5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 141263528
4,4-Difluoro-1-methylpiperidine;1-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde
CID 156811160
2-(chloromethoxy)ethyl-trimethylsilane;2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde;2-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
CID 159103360
4,4-Difluoro-1-methylpiperidine;6-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-3-carbonitrile
CID 163260884
6-[5-(4,4-Difluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carbaldehyde;methanol
CID 163260946
4,4-Difluoro-1-methylpiperidine;4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)cyclohexa-1,3-diene-1-carboxamide
CID 163260970
1-[3-[(Z)-2-(aminomethylamino)-1-(methylideneamino)ethenyl]-1,2-dihydropyridin-5-yl]pyrrolo[2,3-b]pyridine-5-carbaldehyde;4,4-difluoro-1-methylpiperidine
CID 163260981

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde;methane?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde;methane (CID 159870526) is 1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde;methane.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde;methane?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde;methane is C.CC(C)(C)[Si](C)(C)N1CCc2cc(C=O)cnc21.CC(C)(C)[Si](C)(C)n1ccc2cc(C=O)cnc21.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde;methane?
The InChIKey is NSHAKCHSMBJFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OSi.C14H20N2OSi.CH4/c2*1-14(2,3)18(4,5)16-7-6-12-8-11(10-17)9-15-13(12)16;/h8-10H,6-7H2,1-5H3;6-10H,1-5H3;1H4.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde;methane?
1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde;methane has a molecular weight of 538.89 g/mol, XLogP of 7.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]-2,3-dihydropyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde;methane is sourced from PubChem (CID 159870526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).