[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-[2-(2-propan-2-ylphenyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methanone

C33H36F3N5O2Si — CID 164881111

IUPAC[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-[2-(2-propan-2-ylphenyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methanone
SMILESCC(C)c1ccccc1-c1ncc2c(n1)c(C(=O)c1ccc(-c3nc(C(F)(F)F)cn3C)cc1)cn2COCC[Si](C)(C)C
InChIInChI=1S/C33H36F3N5O2Si/c1-21(2)24-9-7-8-10-25(24)31-37-17-27-29(39-31)26(18-41(27)20-43-15-16-44(4,5)6)30(42)22-11-13-23(14-12-22)32-38-28(19-40(32)3)33(34,35)36/h7-14,17-19,21H,15-16,20H2,1-6H3
InChIKeyAZIDTEXZZCZJJL-UHFFFAOYSA-N
MW619.76 g/mol
LogP8.18
Rot. Bonds10

About [4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-[2-(2-propan-2-ylphenyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methanone

[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-[2-(2-propan-2-ylphenyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methanone (PubChem CID 164881111) has the molecular formula C33H36F3N5O2Si and a molecular weight of 619.76 g/mol. Its IUPAC name is [4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-[2-(2-propan-2-ylphenyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methanone.

Molecular Properties

Compound Name[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-[2-(2-propan-2-ylphenyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methanone
PubChem CID164881111
Molecular FormulaC33H36F3N5O2Si
Molecular Weight619.76 g/mol
Exact Mass619.26
IUPAC Name[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-[2-(2-propan-2-ylphenyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methanone
SMILESCC(C)c1ccccc1-c1ncc2c(n1)c(C(=O)c1ccc(-c3nc(C(F)(F)F)cn3C)cc1)cn2COCC[Si](C)(C)C
InChIInChI=1S/C33H36F3N5O2Si/c1-21(2)24-9-7-8-10-25(24)31-37-17-27-29(39-31)26(18-41(27)20-43-15-16-44(4,5)6)30(42)22-11-13-23(14-12-22)32-38-28(19-40(32)3)33(34,35)36/h7-14,17-19,21H,15-16,20H2,1-6H3
InChIKeyAZIDTEXZZCZJJL-UHFFFAOYSA-N
XLogP8.18
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.76
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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 [4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-[2-(2-propan-2-ylphenyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methanone?
The IUPAC name of [4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-[2-(2-propan-2-ylphenyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methanone (CID 164881111) is [4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-[2-(2-propan-2-ylphenyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methanone.
What is the SMILES notation for [4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-[2-(2-propan-2-ylphenyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methanone?
The canonical SMILES for [4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-[2-(2-propan-2-ylphenyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methanone is CC(C)c1ccccc1-c1ncc2c(n1)c(C(=O)c1ccc(-c3nc(C(F)(F)F)cn3C)cc1)cn2COCC[Si](C)(C)C.
What is the InChIKey of [4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-[2-(2-propan-2-ylphenyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methanone?
The InChIKey is AZIDTEXZZCZJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36F3N5O2Si/c1-21(2)24-9-7-8-10-25(24)31-37-17-27-29(39-31)26(18-41(27)20-43-15-16-44(4,5)6)30(42)22-11-13-23(14-12-22)32-38-28(19-40(32)3)33(34,35)36/h7-14,17-19,21H,15-16,20H2,1-6H3.
What are the key properties of [4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-[2-(2-propan-2-ylphenyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methanone?
[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-[2-(2-propan-2-ylphenyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methanone has a molecular weight of 619.76 g/mol, XLogP of 8.18, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-[2-(2-propan-2-ylphenyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methanone is sourced from PubChem (CID 164881111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).