ethyl 5-[(3S)-2-tert-butylsilyloxy-2,4-dimethylpentan-3-yl]-2-chloro-3-methoxy-8-oxopyrido[2,3-b]pyrazine-7-carboxylate

C22H34ClN3O5Si — CID 137329885

About ethyl 5-[(3S)-2-tert-butylsilyloxy-2,4-dimethylpentan-3-yl]-2-chloro-3-methoxy-8-oxopyrido[2,3-b]pyrazine-7-carboxylate

ethyl 5-[(3S)-2-tert-butylsilyloxy-2,4-dimethylpentan-3-yl]-2-chloro-3-methoxy-8-oxopyrido[2,3-b]pyrazine-7-carboxylate (PubChem CID 137329885) has the molecular formula C22H34ClN3O5Si and a molecular weight of 484.07 g/mol. Its IUPAC name is ethyl 5-[(3S)-2-tert-butylsilyloxy-2,4-dimethylpentan-3-yl]-2-chloro-3-methoxy-8-oxopyrido[2,3-b]pyrazine-7-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-[(3S)-2-tert-butylsilyloxy-2,4-dimethylpentan-3-yl]-2-chloro-3-methoxy-8-oxopyrido[2,3-b]pyrazine-7-carboxylate
• PubChem CID: 137329885
• Molecular Formula: C22H34ClN3O5Si
• Molecular Weight: 484.07 g/mol
• Exact Mass: 483.20
• IUPAC Name: ethyl 5-[(3S)-2-tert-butylsilyloxy-2,4-dimethylpentan-3-yl]-2-chloro-3-methoxy-8-oxopyrido[2,3-b]pyrazine-7-carboxylate
• SMILES: CCOC(=O)c1cn([C@@H](C(C)C)C(C)(C)O[SiH2]C(C)(C)C)c2nc(OC)c(Cl)nc2c1=O
• InChI: InChI=1S/C22H34ClN3O5Si/c1-10-30-20(28)13-11-26(16(12(2)3)22(7,8)31-32-21(4,5)6)18-14(15(13)27)24-17(23)19(25-18)29-9/h11-12,16H,10,32H2,1-9H3/t16-/m0/s1
• InChIKey: ZYZJDKJCDZGEQA-INIZCTEOSA-N
• XLogP: 3.92
• TPSA: 92.54 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.07
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(3S)-2-tert-butylsilyloxy-2,4-dimethylpentan-3-yl]-2-chloro-3-methoxy-8-oxopyrido[2,3-b]pyrazine-7-carboxylate?

The IUPAC name of ethyl 5-[(3S)-2-tert-butylsilyloxy-2,4-dimethylpentan-3-yl]-2-chloro-3-methoxy-8-oxopyrido[2,3-b]pyrazine-7-carboxylate (CID 137329885) is ethyl 5-[(3S)-2-tert-butylsilyloxy-2,4-dimethylpentan-3-yl]-2-chloro-3-methoxy-8-oxopyrido[2,3-b]pyrazine-7-carboxylate.

What is the SMILES notation for ethyl 5-[(3S)-2-tert-butylsilyloxy-2,4-dimethylpentan-3-yl]-2-chloro-3-methoxy-8-oxopyrido[2,3-b]pyrazine-7-carboxylate?

The canonical SMILES for ethyl 5-[(3S)-2-tert-butylsilyloxy-2,4-dimethylpentan-3-yl]-2-chloro-3-methoxy-8-oxopyrido[2,3-b]pyrazine-7-carboxylate is CCOC(=O)c1cn([C@@H](C(C)C)C(C)(C)O[SiH2]C(C)(C)C)c2nc(OC)c(Cl)nc2c1=O.

What is the InChIKey of ethyl 5-[(3S)-2-tert-butylsilyloxy-2,4-dimethylpentan-3-yl]-2-chloro-3-methoxy-8-oxopyrido[2,3-b]pyrazine-7-carboxylate?

The InChIKey is ZYZJDKJCDZGEQA-INIZCTEOSA-N. The full InChI is InChI=1S/C22H34ClN3O5Si/c1-10-30-20(28)13-11-26(16(12(2)3)22(7,8)31-32-21(4,5)6)18-14(15(13)27)24-17(23)19(25-18)29-9/h11-12,16H,10,32H2,1-9H3/t16-/m0/s1.

What are the key properties of ethyl 5-[(3S)-2-tert-butylsilyloxy-2,4-dimethylpentan-3-yl]-2-chloro-3-methoxy-8-oxopyrido[2,3-b]pyrazine-7-carboxylate?

ethyl 5-[(3S)-2-tert-butylsilyloxy-2,4-dimethylpentan-3-yl]-2-chloro-3-methoxy-8-oxopyrido[2,3-b]pyrazine-7-carboxylate has a molecular weight of 484.07 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-[(3S)-2-tert-butylsilyloxy-2,4-dimethylpentan-3-yl]-2-chloro-3-methoxy-8-oxopyrido[2,3-b]pyrazine-7-carboxylate is sourced from PubChem (CID 137329885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).