4-[2-[4-[1,3-dipropyl-7-(2-trimethylsilylethoxymethyl)-2,6-dihydropurin-8-yl]pyrazol-1-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

C33H48F3N7O2Si — CID 91267643

IUPAC4-[2-[4-[1,3-dipropyl-7-(2-trimethylsilylethoxymethyl)-2,6-dihydropurin-8-yl]pyrazol-1-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCCCN1Cc2c(nc(-c3cnn(CCC4CC(=O)N(c5cccc(C(F)(F)F)c5)C4)c3)n2COCC[Si](C)(C)C)N(CCC)C1
InChIInChI=1S/C33H48F3N7O2Si/c1-6-12-39-22-29-32(40(23-39)13-7-2)38-31(43(29)24-45-15-16-46(3,4)5)26-19-37-41(21-26)14-11-25-17-30(44)42(20-25)28-10-8-9-27(18-28)33(34,35)36/h8-10,18-19,21,25H,6-7,11-17,20,22-24H2,1-5H3
InChIKeyMGNGWRFRAOOMPM-UHFFFAOYSA-N
MW659.87 g/mol
LogP6.92
Rot. Bonds14

About 4-[2-[4-[1,3-dipropyl-7-(2-trimethylsilylethoxymethyl)-2,6-dihydropurin-8-yl]pyrazol-1-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

4-[2-[4-[1,3-dipropyl-7-(2-trimethylsilylethoxymethyl)-2,6-dihydropurin-8-yl]pyrazol-1-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 91267643) has the molecular formula C33H48F3N7O2Si and a molecular weight of 659.87 g/mol. Its IUPAC name is 4-[2-[4-[1,3-dipropyl-7-(2-trimethylsilylethoxymethyl)-2,6-dihydropurin-8-yl]pyrazol-1-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[2-[4-[1,3-dipropyl-7-(2-trimethylsilylethoxymethyl)-2,6-dihydropurin-8-yl]pyrazol-1-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID91267643
Molecular FormulaC33H48F3N7O2Si
Molecular Weight659.87 g/mol
Exact Mass659.36
IUPAC Name4-[2-[4-[1,3-dipropyl-7-(2-trimethylsilylethoxymethyl)-2,6-dihydropurin-8-yl]pyrazol-1-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCCCN1Cc2c(nc(-c3cnn(CCC4CC(=O)N(c5cccc(C(F)(F)F)c5)C4)c3)n2COCC[Si](C)(C)C)N(CCC)C1
InChIInChI=1S/C33H48F3N7O2Si/c1-6-12-39-22-29-32(40(23-39)13-7-2)38-31(43(29)24-45-15-16-46(3,4)5)26-19-37-41(21-26)14-11-25-17-30(44)42(20-25)28-10-8-9-27(18-28)33(34,35)36/h8-10,18-19,21,25H,6-7,11-17,20,22-24H2,1-5H3
InChIKeyMGNGWRFRAOOMPM-UHFFFAOYSA-N
XLogP6.92
TPSA71.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.87
LogP ≤ 56.92
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 4-[2-[4-[1,3-dipropyl-7-(2-trimethylsilylethoxymethyl)-2,6-dihydropurin-8-yl]pyrazol-1-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one 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 4-[2-[4-[1,3-dipropyl-7-(2-trimethylsilylethoxymethyl)-2,6-dihydropurin-8-yl]pyrazol-1-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-[2-[4-[1,3-dipropyl-7-(2-trimethylsilylethoxymethyl)-2,6-dihydropurin-8-yl]pyrazol-1-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 91267643) is 4-[2-[4-[1,3-dipropyl-7-(2-trimethylsilylethoxymethyl)-2,6-dihydropurin-8-yl]pyrazol-1-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[2-[4-[1,3-dipropyl-7-(2-trimethylsilylethoxymethyl)-2,6-dihydropurin-8-yl]pyrazol-1-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-[2-[4-[1,3-dipropyl-7-(2-trimethylsilylethoxymethyl)-2,6-dihydropurin-8-yl]pyrazol-1-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is CCCN1Cc2c(nc(-c3cnn(CCC4CC(=O)N(c5cccc(C(F)(F)F)c5)C4)c3)n2COCC[Si](C)(C)C)N(CCC)C1.
What is the InChIKey of 4-[2-[4-[1,3-dipropyl-7-(2-trimethylsilylethoxymethyl)-2,6-dihydropurin-8-yl]pyrazol-1-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is MGNGWRFRAOOMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H48F3N7O2Si/c1-6-12-39-22-29-32(40(23-39)13-7-2)38-31(43(29)24-45-15-16-46(3,4)5)26-19-37-41(21-26)14-11-25-17-30(44)42(20-25)28-10-8-9-27(18-28)33(34,35)36/h8-10,18-19,21,25H,6-7,11-17,20,22-24H2,1-5H3.
What are the key properties of 4-[2-[4-[1,3-dipropyl-7-(2-trimethylsilylethoxymethyl)-2,6-dihydropurin-8-yl]pyrazol-1-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
4-[2-[4-[1,3-dipropyl-7-(2-trimethylsilylethoxymethyl)-2,6-dihydropurin-8-yl]pyrazol-1-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 659.87 g/mol, XLogP of 6.92, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[1,3-dipropyl-7-(2-trimethylsilylethoxymethyl)-2,6-dihydropurin-8-yl]pyrazol-1-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 91267643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).