trimethyl-[2-[[3-(1H-pyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

C22H33BN4O3Si — CID 67587750

IUPACtrimethyl-[2-[[3-(1H-pyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESCC1(C)OB(c2cnc3c(c2)c(-c2cn[nH]c2)cn3COCC[Si](C)(C)C)OC1(C)C
InChIInChI=1S/C22H33BN4O3Si/c1-21(2)22(3,4)30-23(29-21)17-10-18-19(16-11-25-26-12-16)14-27(20(18)24-13-17)15-28-8-9-31(5,6)7/h10-14H,8-9,15H2,1-7H3,(H,25,26)
InChIKeyOLTZAVDJALFTIC-UHFFFAOYSA-N
MW440.43 g/mol
LogP4.04
Rot. Bonds7

About trimethyl-[2-[[3-(1H-pyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[3-(1H-pyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (PubChem CID 67587750) has the molecular formula C22H33BN4O3Si and a molecular weight of 440.43 g/mol. Its IUPAC name is trimethyl-[2-[[3-(1H-pyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[3-(1H-pyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
PubChem CID67587750
Molecular FormulaC22H33BN4O3Si
Molecular Weight440.43 g/mol
Exact Mass440.24
IUPAC Nametrimethyl-[2-[[3-(1H-pyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESCC1(C)OB(c2cnc3c(c2)c(-c2cn[nH]c2)cn3COCC[Si](C)(C)C)OC1(C)C
InChIInChI=1S/C22H33BN4O3Si/c1-21(2)22(3,4)30-23(29-21)17-10-18-19(16-11-25-26-12-16)14-27(20(18)24-13-17)15-28-8-9-31(5,6)7/h10-14H,8-9,15H2,1-7H3,(H,25,26)
InChIKeyOLTZAVDJALFTIC-UHFFFAOYSA-N
XLogP4.04
TPSA74.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-[[3-(1H-pyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[3-(1H-pyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (CID 67587750) is trimethyl-[2-[[3-(1H-pyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[3-(1H-pyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[3-(1H-pyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is CC1(C)OB(c2cnc3c(c2)c(-c2cn[nH]c2)cn3COCC[Si](C)(C)C)OC1(C)C.
What is the InChIKey of trimethyl-[2-[[3-(1H-pyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The InChIKey is OLTZAVDJALFTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33BN4O3Si/c1-21(2)22(3,4)30-23(29-21)17-10-18-19(16-11-25-26-12-16)14-27(20(18)24-13-17)15-28-8-9-31(5,6)7/h10-14H,8-9,15H2,1-7H3,(H,25,26).
What are the key properties of trimethyl-[2-[[3-(1H-pyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[3-(1H-pyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane has a molecular weight of 440.43 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[3-(1H-pyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 67587750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).