tert-butyl N-[(3R)-1-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pentan-3-yl]-N-methylcarbamate

C41H64N6O4Si2 — CID 71135026

About tert-butyl N-[(3R)-1-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pentan-3-yl]-N-methylcarbamate

tert-butyl N-[(3R)-1-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pentan-3-yl]-N-methylcarbamate (PubChem CID 71135026) has the molecular formula C41H64N6O4Si2 and a molecular weight of 761.17 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pentan-3-yl]-N-methylcarbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(3R)-1-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pentan-3-yl]-N-methylcarbamate
• PubChem CID: 71135026
• Molecular Formula: C41H64N6O4Si2
• Molecular Weight: 761.17 g/mol
• Exact Mass: 760.45
• IUPAC Name: tert-butyl N-[(3R)-1-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pentan-3-yl]-N-methylcarbamate
• SMILES: CC[C@H](CCc1nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c1C)N(C)C(=O)OC(C)(C)C
• InChI: InChI=1S/C41H64N6O4Si2/c1-13-34(45(6)40(48)51-41(3,4)5)20-22-36-31(2)39(46(29-49-23-25-52(7,8)9)30-50-24-26-53(10,11)12)47-38(44-36)35(28-43-47)33-19-21-37(42-27-33)32-17-15-14-16-18-32/h14-19,21,27-28,34H,13,20,22-26,29-30H2,1-12H3/t34-/m1/s1
• InChIKey: RPPARFKZRFKIOK-UUWRZZSWSA-N
• XLogP: 9.78
• TPSA: 94.32 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	761.17
LogP ≤ 5	9.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pentan-3-yl]-N-methylcarbamate?

The IUPAC name of tert-butyl N-[(3R)-1-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pentan-3-yl]-N-methylcarbamate (CID 71135026) is tert-butyl N-[(3R)-1-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pentan-3-yl]-N-methylcarbamate.

What is the SMILES notation for tert-butyl N-[(3R)-1-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pentan-3-yl]-N-methylcarbamate?

The canonical SMILES for tert-butyl N-[(3R)-1-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pentan-3-yl]-N-methylcarbamate is CC[C@H](CCc1nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c1C)N(C)C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-[(3R)-1-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pentan-3-yl]-N-methylcarbamate?

The InChIKey is RPPARFKZRFKIOK-UUWRZZSWSA-N. The full InChI is InChI=1S/C41H64N6O4Si2/c1-13-34(45(6)40(48)51-41(3,4)5)20-22-36-31(2)39(46(29-49-23-25-52(7,8)9)30-50-24-26-53(10,11)12)47-38(44-36)35(28-43-47)33-19-21-37(42-27-33)32-17-15-14-16-18-32/h14-19,21,27-28,34H,13,20,22-26,29-30H2,1-12H3/t34-/m1/s1.

What are the key properties of tert-butyl N-[(3R)-1-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pentan-3-yl]-N-methylcarbamate?

tert-butyl N-[(3R)-1-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pentan-3-yl]-N-methylcarbamate has a molecular weight of 761.17 g/mol, XLogP of 9.78, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(3R)-1-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pentan-3-yl]-N-methylcarbamate is sourced from PubChem (CID 71135026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).