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

C37H54N8O2Si2 — CID 90355610

IUPACtrimethyl-[2-[[4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESCCCC(C)n1cc(-c2ccnc3c2ccn3COCC[Si](C)(C)C)cn1.C[Si](C)(C)CCOCn1ccc2c(-c3cn[nH]c3)ccnc21
InChIInChI=1S/C21H32N4OSi.C16H22N4OSi/c1-6-7-17(2)25-15-18(14-23-25)19-8-10-22-21-20(19)9-11-24(21)16-26-12-13-27(3,4)5;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/h8-11,14-15,17H,6-7,12-13,16H2,1-5H3;4-7,10-11H,8-9,12H2,1-3H3,(H,18,19)
InChIKeyBQDCUNSDMSZRNY-UHFFFAOYSA-N
MW699.07 g/mol
LogP9.31
Rot. Bonds15

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

trimethyl-[2-[[4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (PubChem CID 90355610) has the molecular formula C37H54N8O2Si2 and a molecular weight of 699.07 g/mol. Its IUPAC name is trimethyl-[2-[[4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
PubChem CID90355610
Molecular FormulaC37H54N8O2Si2
Molecular Weight699.07 g/mol
Exact Mass698.39
IUPAC Nametrimethyl-[2-[[4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESCCCC(C)n1cc(-c2ccnc3c2ccn3COCC[Si](C)(C)C)cn1.C[Si](C)(C)CCOCn1ccc2c(-c3cn[nH]c3)ccnc21
InChIInChI=1S/C21H32N4OSi.C16H22N4OSi/c1-6-7-17(2)25-15-18(14-23-25)19-8-10-22-21-20(19)9-11-24(21)16-26-12-13-27(3,4)5;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/h8-11,14-15,17H,6-7,12-13,16H2,1-5H3;4-7,10-11H,8-9,12H2,1-3H3,(H,18,19)
InChIKeyBQDCUNSDMSZRNY-UHFFFAOYSA-N
XLogP9.31
TPSA100.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.07
LogP ≤ 59.31
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (CID 90355610) is trimethyl-[2-[[4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]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-[[4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is CCCC(C)n1cc(-c2ccnc3c2ccn3COCC[Si](C)(C)C)cn1.C[Si](C)(C)CCOCn1ccc2c(-c3cn[nH]c3)ccnc21.
What is the InChIKey of trimethyl-[2-[[4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The InChIKey is BQDCUNSDMSZRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4OSi.C16H22N4OSi/c1-6-7-17(2)25-15-18(14-23-25)19-8-10-22-21-20(19)9-11-24(21)16-26-12-13-27(3,4)5;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/h8-11,14-15,17H,6-7,12-13,16H2,1-5H3;4-7,10-11H,8-9,12H2,1-3H3,(H,18,19).
What are the key properties of trimethyl-[2-[[4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]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 9.31, 15 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 90355610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).