trimethyl-[2-[2-methyl-4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]oxyethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

C37H54N8O2Si2 — CID 86731787

IUPACtrimethyl-[2-[2-methyl-4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]oxyethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESCCCC(C)n1cc(-c2ccnc3c2cc(C)n3OCC[Si](C)(C)C)cn1.C[Si](C)(C)CCOCn1ccc2c(-c3cn[nH]c3)ccnc21
InChIInChI=1S/C21H32N4OSi.C16H22N4OSi/c1-7-8-16(2)24-15-18(14-23-24)19-9-10-22-21-20(19)13-17(3)25(21)26-11-12-27(4,5)6;1-22(2,3)9-8-21-12-20-7-5-15-14(4-6-17-16(15)20)13-10-18-19-11-13/h9-10,13-16H,7-8,11-12H2,1-6H3;4-7,10-11H,8-9,12H2,1-3H3,(H,18,19)
InChIKeyJERQZDJSOJKIKJ-UHFFFAOYSA-N
MW699.07 g/mol
LogP9.07
Rot. Bonds14

About trimethyl-[2-[2-methyl-4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]oxyethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

trimethyl-[2-[2-methyl-4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]oxyethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (PubChem CID 86731787) has the molecular formula C37H54N8O2Si2 and a molecular weight of 699.07 g/mol. Its IUPAC name is trimethyl-[2-[2-methyl-4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]oxyethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[2-methyl-4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]oxyethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
PubChem CID86731787
Molecular FormulaC37H54N8O2Si2
Molecular Weight699.07 g/mol
Exact Mass698.39
IUPAC Nametrimethyl-[2-[2-methyl-4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]oxyethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESCCCC(C)n1cc(-c2ccnc3c2cc(C)n3OCC[Si](C)(C)C)cn1.C[Si](C)(C)CCOCn1ccc2c(-c3cn[nH]c3)ccnc21
InChIInChI=1S/C21H32N4OSi.C16H22N4OSi/c1-7-8-16(2)24-15-18(14-23-24)19-9-10-22-21-20(19)13-17(3)25(21)26-11-12-27(4,5)6;1-22(2,3)9-8-21-12-20-7-5-15-14(4-6-17-16(15)20)13-10-18-19-11-13/h9-10,13-16H,7-8,11-12H2,1-6H3;4-7,10-11H,8-9,12H2,1-3H3,(H,18,19)
InChIKeyJERQZDJSOJKIKJ-UHFFFAOYSA-N
XLogP9.07
TPSA100.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.07
LogP ≤ 59.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-[2-methyl-4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]oxyethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[2-methyl-4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]oxyethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (CID 86731787) is trimethyl-[2-[2-methyl-4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]oxyethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[2-methyl-4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]oxyethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[2-methyl-4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]oxyethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is CCCC(C)n1cc(-c2ccnc3c2cc(C)n3OCC[Si](C)(C)C)cn1.C[Si](C)(C)CCOCn1ccc2c(-c3cn[nH]c3)ccnc21.
What is the InChIKey of trimethyl-[2-[2-methyl-4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]oxyethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The InChIKey is JERQZDJSOJKIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4OSi.C16H22N4OSi/c1-7-8-16(2)24-15-18(14-23-24)19-9-10-22-21-20(19)13-17(3)25(21)26-11-12-27(4,5)6;1-22(2,3)9-8-21-12-20-7-5-15-14(4-6-17-16(15)20)13-10-18-19-11-13/h9-10,13-16H,7-8,11-12H2,1-6H3;4-7,10-11H,8-9,12H2,1-3H3,(H,18,19).
What are the key properties of trimethyl-[2-[2-methyl-4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]oxyethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[2-methyl-4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]oxyethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane has a molecular weight of 699.07 g/mol, XLogP of 9.07, 14 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[2-methyl-4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]oxyethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 86731787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).