prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(imidazo[1,2-b]pyrazol-1-ylmethyl)pyrrolidine-1-carboxylate

C20H32N4O3Si — CID 18652162

IUPACprop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(imidazo[1,2-b]pyrazol-1-ylmethyl)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1Cn1ccn2nccc12
InChIInChI=1S/C20H32N4O3Si/c1-7-12-26-19(25)23-15-17(27-28(5,6)20(2,3)4)13-16(23)14-22-10-11-24-18(22)8-9-21-24/h7-11,16-17H,1,12-15H2,2-6H3/t16-,17+/m0/s1
InChIKeyQVJFCEWCLSWWBA-DLBZAZTESA-N
MW404.59 g/mol
LogP3.92
Rot. Bonds6

About prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(imidazo[1,2-b]pyrazol-1-ylmethyl)pyrrolidine-1-carboxylate

prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(imidazo[1,2-b]pyrazol-1-ylmethyl)pyrrolidine-1-carboxylate (PubChem CID 18652162) has the molecular formula C20H32N4O3Si and a molecular weight of 404.59 g/mol. Its IUPAC name is prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(imidazo[1,2-b]pyrazol-1-ylmethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(imidazo[1,2-b]pyrazol-1-ylmethyl)pyrrolidine-1-carboxylate
PubChem CID18652162
Molecular FormulaC20H32N4O3Si
Molecular Weight404.59 g/mol
Exact Mass404.22
IUPAC Nameprop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(imidazo[1,2-b]pyrazol-1-ylmethyl)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1Cn1ccn2nccc12
InChIInChI=1S/C20H32N4O3Si/c1-7-12-26-19(25)23-15-17(27-28(5,6)20(2,3)4)13-16(23)14-22-10-11-24-18(22)8-9-21-24/h7-11,16-17H,1,12-15H2,2-6H3/t16-,17+/m0/s1
InChIKeyQVJFCEWCLSWWBA-DLBZAZTESA-N
XLogP3.92
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.59
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(imidazo[1,2-b]pyrazol-1-ylmethyl)pyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(imidazo[1,2-b]pyrazol-1-ylmethyl)pyrrolidine-1-carboxylate (CID 18652162) is prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(imidazo[1,2-b]pyrazol-1-ylmethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(imidazo[1,2-b]pyrazol-1-ylmethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(imidazo[1,2-b]pyrazol-1-ylmethyl)pyrrolidine-1-carboxylate is C=CCOC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1Cn1ccn2nccc12.
What is the InChIKey of prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(imidazo[1,2-b]pyrazol-1-ylmethyl)pyrrolidine-1-carboxylate?
The InChIKey is QVJFCEWCLSWWBA-DLBZAZTESA-N. The full InChI is InChI=1S/C20H32N4O3Si/c1-7-12-26-19(25)23-15-17(27-28(5,6)20(2,3)4)13-16(23)14-22-10-11-24-18(22)8-9-21-24/h7-11,16-17H,1,12-15H2,2-6H3/t16-,17+/m0/s1.
What are the key properties of prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(imidazo[1,2-b]pyrazol-1-ylmethyl)pyrrolidine-1-carboxylate?
prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(imidazo[1,2-b]pyrazol-1-ylmethyl)pyrrolidine-1-carboxylate has a molecular weight of 404.59 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(imidazo[1,2-b]pyrazol-1-ylmethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 18652162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).