bis[2-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]-1-methylpiperidin-4-yl]methanone

C89H140F2N12O9Si6 — CID 169082848

IUPACbis[2-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]-1-methylpiperidin-4-yl]methanone
SMILESCCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CN(C3CC(C(=O)C5CCN(C)C(N6Cc7nc(-c8nn(COCC[Si](C)(C)C)c9cc(-c%10cc(F)c(OCOCC[Si](C)(C)C)cc%10CC)ccc89)n(COCC[Si](C)(C)C)c7C6)C5)CCN3C)C4)nn(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C89H140F2N12O9Si6/c1-23-63-47-81(111-61-109-37-43-117(17,18)19)73(90)51-71(63)65-25-27-69-77(45-65)102(59-107-35-41-115(11,12)13)94-85(69)88-92-75-53-98(55-79(75)100(88)57-105-33-39-113(5,6)7)83-49-67(29-31-96(83)3)87(104)68-30-32-97(4)84(50-68)99-54-76-80(56-99)101(58-106-34-40-114(8,9)10)89(93-76)86-70-28-26-66(46-78(70)103(95-86)60-108-36-42-116(14,15)16)72-52-74(91)82(48-64(72)24-2)112-62-110-38-44-118(20,21)22/h25-28,45-48,51-52,67-68,83-84H,23-24,29-44,49-50,53-62H2,1-22H3
InChIKeyUFHSIYSKBDATOI-UHFFFAOYSA-N
MW1728.69 g/mol
LogP19.72
Rot. Bonds42

About bis[2-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]-1-methylpiperidin-4-yl]methanone

bis[2-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]-1-methylpiperidin-4-yl]methanone (PubChem CID 169082848) has the molecular formula C89H140F2N12O9Si6 and a molecular weight of 1728.69 g/mol. Its IUPAC name is bis[2-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]-1-methylpiperidin-4-yl]methanone.

Molecular Properties

Compound Namebis[2-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]-1-methylpiperidin-4-yl]methanone
PubChem CID169082848
Molecular FormulaC89H140F2N12O9Si6
Molecular Weight1728.69 g/mol
Exact Mass1726.94
IUPAC Namebis[2-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]-1-methylpiperidin-4-yl]methanone
SMILESCCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CN(C3CC(C(=O)C5CCN(C)C(N6Cc7nc(-c8nn(COCC[Si](C)(C)C)c9cc(-c%10cc(F)c(OCOCC[Si](C)(C)C)cc%10CC)ccc89)n(COCC[Si](C)(C)C)c7C6)C5)CCN3C)C4)nn(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C89H140F2N12O9Si6/c1-23-63-47-81(111-61-109-37-43-117(17,18)19)73(90)51-71(63)65-25-27-69-77(45-65)102(59-107-35-41-115(11,12)13)94-85(69)88-92-75-53-98(55-79(75)100(88)57-105-33-39-113(5,6)7)83-49-67(29-31-96(83)3)87(104)68-30-32-97(4)84(50-68)99-54-76-80(56-99)101(58-106-34-40-114(8,9)10)89(93-76)86-70-28-26-66(46-78(70)103(95-86)60-108-36-42-116(14,15)16)72-52-74(91)82(48-64(72)24-2)112-62-110-38-44-118(20,21)22/h25-28,45-48,51-52,67-68,83-84H,23-24,29-44,49-50,53-62H2,1-22H3
InChIKeyUFHSIYSKBDATOI-UHFFFAOYSA-N
XLogP19.72
TPSA175.15 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds42
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001728.69
LogP ≤ 519.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze bis[2-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]-1-methylpiperidin-4-yl]methanone 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 bis[2-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]-1-methylpiperidin-4-yl]methanone?
The IUPAC name of bis[2-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]-1-methylpiperidin-4-yl]methanone (CID 169082848) is bis[2-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]-1-methylpiperidin-4-yl]methanone.
What is the SMILES notation for bis[2-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]-1-methylpiperidin-4-yl]methanone?
The canonical SMILES for bis[2-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]-1-methylpiperidin-4-yl]methanone is CCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CN(C3CC(C(=O)C5CCN(C)C(N6Cc7nc(-c8nn(COCC[Si](C)(C)C)c9cc(-c%10cc(F)c(OCOCC[Si](C)(C)C)cc%10CC)ccc89)n(COCC[Si](C)(C)C)c7C6)C5)CCN3C)C4)nn(COCC[Si](C)(C)C)c2c1.
What is the InChIKey of bis[2-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]-1-methylpiperidin-4-yl]methanone?
The InChIKey is UFHSIYSKBDATOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H140F2N12O9Si6/c1-23-63-47-81(111-61-109-37-43-117(17,18)19)73(90)51-71(63)65-25-27-69-77(45-65)102(59-107-35-41-115(11,12)13)94-85(69)88-92-75-53-98(55-79(75)100(88)57-105-33-39-113(5,6)7)83-49-67(29-31-96(83)3)87(104)68-30-32-97(4)84(50-68)99-54-76-80(56-99)101(58-106-34-40-114(8,9)10)89(93-76)86-70-28-26-66(46-78(70)103(95-86)60-108-36-42-116(14,15)16)72-52-74(91)82(48-64(72)24-2)112-62-110-38-44-118(20,21)22/h25-28,45-48,51-52,67-68,83-84H,23-24,29-44,49-50,53-62H2,1-22H3.
What are the key properties of bis[2-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]-1-methylpiperidin-4-yl]methanone?
bis[2-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]-1-methylpiperidin-4-yl]methanone has a molecular weight of 1728.69 g/mol, XLogP of 19.72, 42 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]-1-methylpiperidin-4-yl]methanone is sourced from PubChem (CID 169082848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).