2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-5,5-dimethyl-7-(1-propan-2-ylindazol-5-yl)pyrrolo[2,3-d]pyrimidin-6-one

C25H34ClN5O2Si — CID 175988569

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-5,5-dimethyl-7-(1-propan-2-ylindazol-5-yl)pyrrolo[2,3-d]pyrimidin-6-one

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-5,5-dimethyl-7-(1-propan-2-ylindazol-5-yl)pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 175988569) has the molecular formula C25H34ClN5O2Si and a molecular weight of 500.12 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-5,5-dimethyl-7-(1-propan-2-ylindazol-5-yl)pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-5,5-dimethyl-7-(1-propan-2-ylindazol-5-yl)pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 175988569
• Molecular Formula: C25H34ClN5O2Si
• Molecular Weight: 500.12 g/mol
• Exact Mass: 499.22
• IUPAC Name: 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-5,5-dimethyl-7-(1-propan-2-ylindazol-5-yl)pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: CC(C)n1ncc2cc(N3C(=O)C(C)(C)c4c(Cl)nc(CO[Si](C)(C)C(C)(C)C)nc43)ccc21
• InChI: InChI=1S/C25H34ClN5O2Si/c1-15(2)31-18-11-10-17(12-16(18)13-27-31)30-22-20(25(6,7)23(30)32)21(26)28-19(29-22)14-33-34(8,9)24(3,4)5/h10-13,15H,14H2,1-9H3
• InChIKey: RYMPIXFDQFMMBX-UHFFFAOYSA-N
• XLogP: 6.54
• TPSA: 73.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.12
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-5,5-dimethyl-7-(1-propan-2-ylindazol-5-yl)pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-5,5-dimethyl-7-(1-propan-2-ylindazol-5-yl)pyrrolo[2,3-d]pyrimidin-6-one (CID 175988569) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-5,5-dimethyl-7-(1-propan-2-ylindazol-5-yl)pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-5,5-dimethyl-7-(1-propan-2-ylindazol-5-yl)pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-5,5-dimethyl-7-(1-propan-2-ylindazol-5-yl)pyrrolo[2,3-d]pyrimidin-6-one is CC(C)n1ncc2cc(N3C(=O)C(C)(C)c4c(Cl)nc(CO[Si](C)(C)C(C)(C)C)nc43)ccc21.

What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-5,5-dimethyl-7-(1-propan-2-ylindazol-5-yl)pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is RYMPIXFDQFMMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34ClN5O2Si/c1-15(2)31-18-11-10-17(12-16(18)13-27-31)30-22-20(25(6,7)23(30)32)21(26)28-19(29-22)14-33-34(8,9)24(3,4)5/h10-13,15H,14H2,1-9H3.

What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-5,5-dimethyl-7-(1-propan-2-ylindazol-5-yl)pyrrolo[2,3-d]pyrimidin-6-one?

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-5,5-dimethyl-7-(1-propan-2-ylindazol-5-yl)pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 500.12 g/mol, XLogP of 6.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chloro-5,5-dimethyl-7-(1-propan-2-ylindazol-5-yl)pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 175988569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).