trimethyl-[2-[[4-[1-[4-(1H-pyrazol-4-yl)butan-2-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

C23H32N6OSi — CID 68910657

IUPACtrimethyl-[2-[[4-[1-[4-(1H-pyrazol-4-yl)butan-2-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESCC(CCc1cn[nH]c1)n1cc(-c2ccnc3c2ccn3COCC[Si](C)(C)C)cn1
InChIInChI=1S/C23H32N6OSi/c1-18(5-6-19-13-25-26-14-19)29-16-20(15-27-29)21-7-9-24-23-22(21)8-10-28(23)17-30-11-12-31(2,3)4/h7-10,13-16,18H,5-6,11-12,17H2,1-4H3,(H,25,26)
InChIKeyDUWHPJCILILCBI-UHFFFAOYSA-N
MW436.64 g/mol
LogP5.13
Rot. Bonds10

About trimethyl-[2-[[4-[1-[4-(1H-pyrazol-4-yl)butan-2-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[4-[1-[4-(1H-pyrazol-4-yl)butan-2-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (PubChem CID 68910657) has the molecular formula C23H32N6OSi and a molecular weight of 436.64 g/mol. Its IUPAC name is trimethyl-[2-[[4-[1-[4-(1H-pyrazol-4-yl)butan-2-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[4-[1-[4-(1H-pyrazol-4-yl)butan-2-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
PubChem CID68910657
Molecular FormulaC23H32N6OSi
Molecular Weight436.64 g/mol
Exact Mass436.24
IUPAC Nametrimethyl-[2-[[4-[1-[4-(1H-pyrazol-4-yl)butan-2-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESCC(CCc1cn[nH]c1)n1cc(-c2ccnc3c2ccn3COCC[Si](C)(C)C)cn1
InChIInChI=1S/C23H32N6OSi/c1-18(5-6-19-13-25-26-14-19)29-16-20(15-27-29)21-7-9-24-23-22(21)8-10-28(23)17-30-11-12-31(2,3)4/h7-10,13-16,18H,5-6,11-12,17H2,1-4H3,(H,25,26)
InChIKeyDUWHPJCILILCBI-UHFFFAOYSA-N
XLogP5.13
TPSA73.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.64
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[4-[1-[4-(1H-pyrazol-4-yl)butan-2-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[4-[1-[4-(1H-pyrazol-4-yl)butan-2-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (CID 68910657) is trimethyl-[2-[[4-[1-[4-(1H-pyrazol-4-yl)butan-2-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[4-[1-[4-(1H-pyrazol-4-yl)butan-2-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[4-[1-[4-(1H-pyrazol-4-yl)butan-2-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is CC(CCc1cn[nH]c1)n1cc(-c2ccnc3c2ccn3COCC[Si](C)(C)C)cn1.
What is the InChIKey of trimethyl-[2-[[4-[1-[4-(1H-pyrazol-4-yl)butan-2-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The InChIKey is DUWHPJCILILCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6OSi/c1-18(5-6-19-13-25-26-14-19)29-16-20(15-27-29)21-7-9-24-23-22(21)8-10-28(23)17-30-11-12-31(2,3)4/h7-10,13-16,18H,5-6,11-12,17H2,1-4H3,(H,25,26).
What are the key properties of trimethyl-[2-[[4-[1-[4-(1H-pyrazol-4-yl)butan-2-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[4-[1-[4-(1H-pyrazol-4-yl)butan-2-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane has a molecular weight of 436.64 g/mol, XLogP of 5.13, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[4-[1-[4-(1H-pyrazol-4-yl)butan-2-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 68910657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).