2-[[6-bromo-3-[5-cyclopropylsulfonyl-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane

C27H42BrN5O4SSi2 — CID 155665193

IUPAC2-[[6-bromo-3-[5-cyclopropylsulfonyl-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(-c2nn(COCC[Si](C)(C)C)c3cc(Br)ccc23)nc2c1CN(S(=O)(=O)C1CC1)C2
InChIInChI=1S/C27H42BrN5O4SSi2/c1-39(2,3)13-11-36-18-32-25-17-31(38(34,35)21-8-9-21)16-23(25)29-27(32)26-22-10-7-20(28)15-24(22)33(30-26)19-37-12-14-40(4,5)6/h7,10,15,21H,8-9,11-14,16-19H2,1-6H3
InChIKeyTWYILQPALJNCDJ-UHFFFAOYSA-N
MW668.81 g/mol
LogP6.09
Rot. Bonds13

About 2-[[6-bromo-3-[5-cyclopropylsulfonyl-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[6-bromo-3-[5-cyclopropylsulfonyl-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 155665193) has the molecular formula C27H42BrN5O4SSi2 and a molecular weight of 668.81 g/mol. Its IUPAC name is 2-[[6-bromo-3-[5-cyclopropylsulfonyl-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[6-bromo-3-[5-cyclopropylsulfonyl-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID155665193
Molecular FormulaC27H42BrN5O4SSi2
Molecular Weight668.81 g/mol
Exact Mass667.17
IUPAC Name2-[[6-bromo-3-[5-cyclopropylsulfonyl-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(-c2nn(COCC[Si](C)(C)C)c3cc(Br)ccc23)nc2c1CN(S(=O)(=O)C1CC1)C2
InChIInChI=1S/C27H42BrN5O4SSi2/c1-39(2,3)13-11-36-18-32-25-17-31(38(34,35)21-8-9-21)16-23(25)29-27(32)26-22-10-7-20(28)15-24(22)33(30-26)19-37-12-14-40(4,5)6/h7,10,15,21H,8-9,11-14,16-19H2,1-6H3
InChIKeyTWYILQPALJNCDJ-UHFFFAOYSA-N
XLogP6.09
TPSA91.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.81
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[[6-bromo-3-[5-cyclopropylsulfonyl-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane 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 2-[[6-bromo-3-[5-cyclopropylsulfonyl-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[6-bromo-3-[5-cyclopropylsulfonyl-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 155665193) is 2-[[6-bromo-3-[5-cyclopropylsulfonyl-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[6-bromo-3-[5-cyclopropylsulfonyl-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[6-bromo-3-[5-cyclopropylsulfonyl-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(-c2nn(COCC[Si](C)(C)C)c3cc(Br)ccc23)nc2c1CN(S(=O)(=O)C1CC1)C2.
What is the InChIKey of 2-[[6-bromo-3-[5-cyclopropylsulfonyl-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is TWYILQPALJNCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42BrN5O4SSi2/c1-39(2,3)13-11-36-18-32-25-17-31(38(34,35)21-8-9-21)16-23(25)29-27(32)26-22-10-7-20(28)15-24(22)33(30-26)19-37-12-14-40(4,5)6/h7,10,15,21H,8-9,11-14,16-19H2,1-6H3.
What are the key properties of 2-[[6-bromo-3-[5-cyclopropylsulfonyl-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[6-bromo-3-[5-cyclopropylsulfonyl-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 668.81 g/mol, XLogP of 6.09, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-bromo-3-[5-cyclopropylsulfonyl-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 155665193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).