cyclopropyl-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]methanone

C35H49FN6O4Si2 — CID 155665226

IUPACcyclopropyl-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]methanone
SMILESCCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1cc2[nH]nc(-c3nc4c(n3COCC[Si](C)(C)C)CN(C(=O)C3CC3)C4)c2cn1
InChIInChI=1S/C35H49FN6O4Si2/c1-8-23-15-32(46-22-45-12-14-48(5,6)7)27(36)16-25(23)28-17-29-26(18-37-28)33(40-39-29)34-38-30-19-41(35(43)24-9-10-24)20-31(30)42(34)21-44-11-13-47(2,3)4/h15-18,24H,8-14,19-22H2,1-7H3,(H,39,40)
InChIKeyCIYPMVLKEUXHGI-UHFFFAOYSA-N
MW692.99 g/mol
LogP7.45
Rot. Bonds15

About cyclopropyl-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]methanone

cyclopropyl-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]methanone (PubChem CID 155665226) has the molecular formula C35H49FN6O4Si2 and a molecular weight of 692.99 g/mol. Its IUPAC name is cyclopropyl-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]methanone
PubChem CID155665226
Molecular FormulaC35H49FN6O4Si2
Molecular Weight692.99 g/mol
Exact Mass692.33
IUPAC Namecyclopropyl-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]methanone
SMILESCCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1cc2[nH]nc(-c3nc4c(n3COCC[Si](C)(C)C)CN(C(=O)C3CC3)C4)c2cn1
InChIInChI=1S/C35H49FN6O4Si2/c1-8-23-15-32(46-22-45-12-14-48(5,6)7)27(36)16-25(23)28-17-29-26(18-37-28)33(40-39-29)34-38-30-19-41(35(43)24-9-10-24)20-31(30)42(34)21-44-11-13-47(2,3)4/h15-18,24H,8-14,19-22H2,1-7H3,(H,39,40)
InChIKeyCIYPMVLKEUXHGI-UHFFFAOYSA-N
XLogP7.45
TPSA107.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.99
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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'}

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]methanone?
The IUPAC name of cyclopropyl-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]methanone (CID 155665226) is cyclopropyl-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]methanone.
What is the SMILES notation for cyclopropyl-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]methanone?
The canonical SMILES for cyclopropyl-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]methanone is CCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1cc2[nH]nc(-c3nc4c(n3COCC[Si](C)(C)C)CN(C(=O)C3CC3)C4)c2cn1.
What is the InChIKey of cyclopropyl-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]methanone?
The InChIKey is CIYPMVLKEUXHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H49FN6O4Si2/c1-8-23-15-32(46-22-45-12-14-48(5,6)7)27(36)16-25(23)28-17-29-26(18-37-28)33(40-39-29)34-38-30-19-41(35(43)24-9-10-24)20-31(30)42(34)21-44-11-13-47(2,3)4/h15-18,24H,8-14,19-22H2,1-7H3,(H,39,40).
What are the key properties of cyclopropyl-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]methanone?
cyclopropyl-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]methanone has a molecular weight of 692.99 g/mol, XLogP of 7.45, 15 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-yl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]methanone is sourced from PubChem (CID 155665226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).