2-trimethylsilylethyl (3R)-3-[4-amino-6-cyclopropyl-7-[6-fluoro-5-methyl-1-(oxan-2-yl)indazol-4-yl]-8-hydroxyquinazolin-2-yl]oxypyrrolidine-1-carboxylate

C34H43FN6O5Si — CID 171604348

About 2-trimethylsilylethyl (3R)-3-[4-amino-6-cyclopropyl-7-[6-fluoro-5-methyl-1-(oxan-2-yl)indazol-4-yl]-8-hydroxyquinazolin-2-yl]oxypyrrolidine-1-carboxylate

2-trimethylsilylethyl (3R)-3-[4-amino-6-cyclopropyl-7-[6-fluoro-5-methyl-1-(oxan-2-yl)indazol-4-yl]-8-hydroxyquinazolin-2-yl]oxypyrrolidine-1-carboxylate (PubChem CID 171604348) has the molecular formula C34H43FN6O5Si and a molecular weight of 662.84 g/mol. Its IUPAC name is 2-trimethylsilylethyl (3R)-3-[4-amino-6-cyclopropyl-7-[6-fluoro-5-methyl-1-(oxan-2-yl)indazol-4-yl]-8-hydroxyquinazolin-2-yl]oxypyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: 2-trimethylsilylethyl (3R)-3-[4-amino-6-cyclopropyl-7-[6-fluoro-5-methyl-1-(oxan-2-yl)indazol-4-yl]-8-hydroxyquinazolin-2-yl]oxypyrrolidine-1-carboxylate
• PubChem CID: 171604348
• Molecular Formula: C34H43FN6O5Si
• Molecular Weight: 662.84 g/mol
• Exact Mass: 662.30
• IUPAC Name: 2-trimethylsilylethyl (3R)-3-[4-amino-6-cyclopropyl-7-[6-fluoro-5-methyl-1-(oxan-2-yl)indazol-4-yl]-8-hydroxyquinazolin-2-yl]oxypyrrolidine-1-carboxylate
• SMILES: Cc1c(F)cc2c(cnn2C2CCCCO2)c1-c1c(C2CC2)cc2c(N)nc(O[C@@H]3CCN(C(=O)OCC[Si](C)(C)C)C3)nc2c1O
• InChI: InChI=1S/C34H43FN6O5Si/c1-19-25(35)16-26-24(17-37-41(26)27-7-5-6-12-44-27)28(19)29-22(20-8-9-20)15-23-30(31(29)42)38-33(39-32(23)36)46-21-10-11-40(18-21)34(43)45-13-14-47(2,3)4/h15-17,20-21,27,42H,5-14,18H2,1-4H3,(H2,36,38,39)/t21-,27?/m1/s1
• InChIKey: OVDLOMOXSYGVNU-XJQHNOHDSA-N
• XLogP: 6.89
• TPSA: 137.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.84
LogP ≤ 5	6.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl (3R)-3-[4-amino-6-cyclopropyl-7-[6-fluoro-5-methyl-1-(oxan-2-yl)indazol-4-yl]-8-hydroxyquinazolin-2-yl]oxypyrrolidine-1-carboxylate?

The IUPAC name of 2-trimethylsilylethyl (3R)-3-[4-amino-6-cyclopropyl-7-[6-fluoro-5-methyl-1-(oxan-2-yl)indazol-4-yl]-8-hydroxyquinazolin-2-yl]oxypyrrolidine-1-carboxylate (CID 171604348) is 2-trimethylsilylethyl (3R)-3-[4-amino-6-cyclopropyl-7-[6-fluoro-5-methyl-1-(oxan-2-yl)indazol-4-yl]-8-hydroxyquinazolin-2-yl]oxypyrrolidine-1-carboxylate.

What is the SMILES notation for 2-trimethylsilylethyl (3R)-3-[4-amino-6-cyclopropyl-7-[6-fluoro-5-methyl-1-(oxan-2-yl)indazol-4-yl]-8-hydroxyquinazolin-2-yl]oxypyrrolidine-1-carboxylate?

The canonical SMILES for 2-trimethylsilylethyl (3R)-3-[4-amino-6-cyclopropyl-7-[6-fluoro-5-methyl-1-(oxan-2-yl)indazol-4-yl]-8-hydroxyquinazolin-2-yl]oxypyrrolidine-1-carboxylate is Cc1c(F)cc2c(cnn2C2CCCCO2)c1-c1c(C2CC2)cc2c(N)nc(O[C@@H]3CCN(C(=O)OCC[Si](C)(C)C)C3)nc2c1O.

What is the InChIKey of 2-trimethylsilylethyl (3R)-3-[4-amino-6-cyclopropyl-7-[6-fluoro-5-methyl-1-(oxan-2-yl)indazol-4-yl]-8-hydroxyquinazolin-2-yl]oxypyrrolidine-1-carboxylate?

The InChIKey is OVDLOMOXSYGVNU-XJQHNOHDSA-N. The full InChI is InChI=1S/C34H43FN6O5Si/c1-19-25(35)16-26-24(17-37-41(26)27-7-5-6-12-44-27)28(19)29-22(20-8-9-20)15-23-30(31(29)42)38-33(39-32(23)36)46-21-10-11-40(18-21)34(43)45-13-14-47(2,3)4/h15-17,20-21,27,42H,5-14,18H2,1-4H3,(H2,36,38,39)/t21-,27?/m1/s1.

What are the key properties of 2-trimethylsilylethyl (3R)-3-[4-amino-6-cyclopropyl-7-[6-fluoro-5-methyl-1-(oxan-2-yl)indazol-4-yl]-8-hydroxyquinazolin-2-yl]oxypyrrolidine-1-carboxylate?

2-trimethylsilylethyl (3R)-3-[4-amino-6-cyclopropyl-7-[6-fluoro-5-methyl-1-(oxan-2-yl)indazol-4-yl]-8-hydroxyquinazolin-2-yl]oxypyrrolidine-1-carboxylate has a molecular weight of 662.84 g/mol, XLogP of 6.89, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-trimethylsilylethyl (3R)-3-[4-amino-6-cyclopropyl-7-[6-fluoro-5-methyl-1-(oxan-2-yl)indazol-4-yl]-8-hydroxyquinazolin-2-yl]oxypyrrolidine-1-carboxylate is sourced from PubChem (CID 171604348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).