tert-butyl N-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2-fluorophenyl)methyl]carbamate

C29H44FN5O3Si — CID 59534270

IUPACtert-butyl N-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2-fluorophenyl)methyl]carbamate
SMILESCC(C)c1cnn2c(N(Cc3ccccc3F)C(=O)OC(C)(C)C)cc(NCCO[Si](C)(C)C(C)(C)C)nc12
InChIInChI=1S/C29H44FN5O3Si/c1-20(2)22-18-32-35-25(17-24(33-26(22)35)31-15-16-37-39(9,10)29(6,7)8)34(27(36)38-28(3,4)5)19-21-13-11-12-14-23(21)30/h11-14,17-18,20H,15-16,19H2,1-10H3,(H,31,33)
InChIKeyWYPPNRJBTSETSD-UHFFFAOYSA-N
MW557.79 g/mol
LogP7.37
Rot. Bonds9

About tert-butyl N-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2-fluorophenyl)methyl]carbamate

tert-butyl N-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2-fluorophenyl)methyl]carbamate (PubChem CID 59534270) has the molecular formula C29H44FN5O3Si and a molecular weight of 557.79 g/mol. Its IUPAC name is tert-butyl N-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2-fluorophenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2-fluorophenyl)methyl]carbamate
PubChem CID59534270
Molecular FormulaC29H44FN5O3Si
Molecular Weight557.79 g/mol
Exact Mass557.32
IUPAC Nametert-butyl N-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2-fluorophenyl)methyl]carbamate
SMILESCC(C)c1cnn2c(N(Cc3ccccc3F)C(=O)OC(C)(C)C)cc(NCCO[Si](C)(C)C(C)(C)C)nc12
InChIInChI=1S/C29H44FN5O3Si/c1-20(2)22-18-32-35-25(17-24(33-26(22)35)31-15-16-37-39(9,10)29(6,7)8)34(27(36)38-28(3,4)5)19-21-13-11-12-14-23(21)30/h11-14,17-18,20H,15-16,19H2,1-10H3,(H,31,33)
InChIKeyWYPPNRJBTSETSD-UHFFFAOYSA-N
XLogP7.37
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.79
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl N-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2-fluorophenyl)methyl]carbamate 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 tert-butyl N-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2-fluorophenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2-fluorophenyl)methyl]carbamate (CID 59534270) is tert-butyl N-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2-fluorophenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2-fluorophenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2-fluorophenyl)methyl]carbamate is CC(C)c1cnn2c(N(Cc3ccccc3F)C(=O)OC(C)(C)C)cc(NCCO[Si](C)(C)C(C)(C)C)nc12.
What is the InChIKey of tert-butyl N-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2-fluorophenyl)methyl]carbamate?
The InChIKey is WYPPNRJBTSETSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44FN5O3Si/c1-20(2)22-18-32-35-25(17-24(33-26(22)35)31-15-16-37-39(9,10)29(6,7)8)34(27(36)38-28(3,4)5)19-21-13-11-12-14-23(21)30/h11-14,17-18,20H,15-16,19H2,1-10H3,(H,31,33).
What are the key properties of tert-butyl N-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2-fluorophenyl)methyl]carbamate?
tert-butyl N-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2-fluorophenyl)methyl]carbamate has a molecular weight of 557.79 g/mol, XLogP of 7.37, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(2-fluorophenyl)methyl]carbamate is sourced from PubChem (CID 59534270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).