tert-butyl N-[(3R)-1-[5-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-fluoroindazol-4-yl]pyrrolidin-3-yl]carbamate

C24H40FN5O3Si — CID 153424233

IUPACtert-butyl N-[(3R)-1-[5-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-fluoroindazol-4-yl]pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCN(c2c(N)cc(F)c3c2cnn3CCO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C24H40FN5O3Si/c1-23(2,3)33-22(31)28-16-9-10-29(15-16)21-17-14-27-30(20(17)18(25)13-19(21)26)11-12-32-34(7,8)24(4,5)6/h13-14,16H,9-12,15,26H2,1-8H3,(H,28,31)/t16-/m1/s1
InChIKeyVEWODQYBOKEWOK-MRXNPFEDSA-N
MW493.70 g/mol
LogP4.88
Rot. Bonds6

About tert-butyl N-[(3R)-1-[5-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-fluoroindazol-4-yl]pyrrolidin-3-yl]carbamate

tert-butyl N-[(3R)-1-[5-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-fluoroindazol-4-yl]pyrrolidin-3-yl]carbamate (PubChem CID 153424233) has the molecular formula C24H40FN5O3Si and a molecular weight of 493.70 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[5-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-fluoroindazol-4-yl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-[5-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-fluoroindazol-4-yl]pyrrolidin-3-yl]carbamate
PubChem CID153424233
Molecular FormulaC24H40FN5O3Si
Molecular Weight493.70 g/mol
Exact Mass493.29
IUPAC Nametert-butyl N-[(3R)-1-[5-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-fluoroindazol-4-yl]pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCN(c2c(N)cc(F)c3c2cnn3CCO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C24H40FN5O3Si/c1-23(2,3)33-22(31)28-16-9-10-29(15-16)21-17-14-27-30(20(17)18(25)13-19(21)26)11-12-32-34(7,8)24(4,5)6/h13-14,16H,9-12,15,26H2,1-8H3,(H,28,31)/t16-/m1/s1
InChIKeyVEWODQYBOKEWOK-MRXNPFEDSA-N
XLogP4.88
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.70
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-[5-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-fluoroindazol-4-yl]pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-[5-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-fluoroindazol-4-yl]pyrrolidin-3-yl]carbamate (CID 153424233) is tert-butyl N-[(3R)-1-[5-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-fluoroindazol-4-yl]pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-[5-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-fluoroindazol-4-yl]pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-[5-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-fluoroindazol-4-yl]pyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCN(c2c(N)cc(F)c3c2cnn3CCO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(3R)-1-[5-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-fluoroindazol-4-yl]pyrrolidin-3-yl]carbamate?
The InChIKey is VEWODQYBOKEWOK-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H40FN5O3Si/c1-23(2,3)33-22(31)28-16-9-10-29(15-16)21-17-14-27-30(20(17)18(25)13-19(21)26)11-12-32-34(7,8)24(4,5)6/h13-14,16H,9-12,15,26H2,1-8H3,(H,28,31)/t16-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-[5-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-fluoroindazol-4-yl]pyrrolidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-[5-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-fluoroindazol-4-yl]pyrrolidin-3-yl]carbamate has a molecular weight of 493.70 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-[5-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-fluoroindazol-4-yl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 153424233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).