ethyl 1-methyl-7-oxo-6-[[1-[1-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]sulfonylcyclopropyl]methyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate

C28H47N3O6SSi — CID 156678581

About ethyl 1-methyl-7-oxo-6-[[1-[1-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]sulfonylcyclopropyl]methyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate

ethyl 1-methyl-7-oxo-6-[[1-[1-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]sulfonylcyclopropyl]methyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate (PubChem CID 156678581) has the molecular formula C28H47N3O6SSi and a molecular weight of 581.85 g/mol. Its IUPAC name is ethyl 1-methyl-7-oxo-6-[[1-[1-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]sulfonylcyclopropyl]methyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-methyl-7-oxo-6-[[1-[1-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]sulfonylcyclopropyl]methyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
• PubChem CID: 156678581
• Molecular Formula: C28H47N3O6SSi
• Molecular Weight: 581.85 g/mol
• Exact Mass: 581.30
• IUPAC Name: ethyl 1-methyl-7-oxo-6-[[1-[1-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]sulfonylcyclopropyl]methyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate
• SMILES: CCOC(=O)c1nn(C)c2c1CCN(CC1(S(=O)(=O)C3(CCO[Si](C(C)C)(C(C)C)C(C)C)CC3)CC1)C2=O
• InChI: InChI=1S/C28H47N3O6SSi/c1-9-36-26(33)23-22-10-16-31(25(32)24(22)30(8)29-23)18-28(13-14-28)38(34,35)27(11-12-27)15-17-37-39(19(2)3,20(4)5)21(6)7/h19-21H,9-18H2,1-8H3
• InChIKey: JMTCXDDJQRZYOX-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 107.80 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	581.85
LogP ≤ 5	4.66
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 1-methyl-7-oxo-6-[[1-[1-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]sulfonylcyclopropyl]methyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate?

The IUPAC name of ethyl 1-methyl-7-oxo-6-[[1-[1-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]sulfonylcyclopropyl]methyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate (CID 156678581) is ethyl 1-methyl-7-oxo-6-[[1-[1-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]sulfonylcyclopropyl]methyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate.

What is the SMILES notation for ethyl 1-methyl-7-oxo-6-[[1-[1-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]sulfonylcyclopropyl]methyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate?

The canonical SMILES for ethyl 1-methyl-7-oxo-6-[[1-[1-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]sulfonylcyclopropyl]methyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate is CCOC(=O)c1nn(C)c2c1CCN(CC1(S(=O)(=O)C3(CCO[Si](C(C)C)(C(C)C)C(C)C)CC3)CC1)C2=O.

What is the InChIKey of ethyl 1-methyl-7-oxo-6-[[1-[1-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]sulfonylcyclopropyl]methyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate?

The InChIKey is JMTCXDDJQRZYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H47N3O6SSi/c1-9-36-26(33)23-22-10-16-31(25(32)24(22)30(8)29-23)18-28(13-14-28)38(34,35)27(11-12-27)15-17-37-39(19(2)3,20(4)5)21(6)7/h19-21H,9-18H2,1-8H3.

What are the key properties of ethyl 1-methyl-7-oxo-6-[[1-[1-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]sulfonylcyclopropyl]methyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate?

ethyl 1-methyl-7-oxo-6-[[1-[1-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]sulfonylcyclopropyl]methyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate has a molecular weight of 581.85 g/mol, XLogP of 4.66, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-methyl-7-oxo-6-[[1-[1-[2-tri(propan-2-yl)silyloxyethyl]cyclopropyl]sulfonylcyclopropyl]methyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylate is sourced from PubChem (CID 156678581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).