methyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(phenylmethoxyamino)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-7-carboxylate

C23H36N4O4Si — CID 153408296

IUPACmethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(phenylmethoxyamino)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-7-carboxylate
SMILESCOC(=O)C1NCC(NOCc2ccccc2)c2cnn(CCO[Si](C)(C)C(C)(C)C)c21
InChIInChI=1S/C23H36N4O4Si/c1-23(2,3)32(5,6)31-13-12-27-21-18(14-25-27)19(15-24-20(21)22(28)29-4)26-30-16-17-10-8-7-9-11-17/h7-11,14,19-20,24,26H,12-13,15-16H2,1-6H3
InChIKeyIWPCQGPCMBPBPB-UHFFFAOYSA-N
MW460.65 g/mol
LogP3.48
Rot. Bonds9

About methyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(phenylmethoxyamino)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-7-carboxylate

methyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(phenylmethoxyamino)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-7-carboxylate (PubChem CID 153408296) has the molecular formula C23H36N4O4Si and a molecular weight of 460.65 g/mol. Its IUPAC name is methyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(phenylmethoxyamino)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(phenylmethoxyamino)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-7-carboxylate
PubChem CID153408296
Molecular FormulaC23H36N4O4Si
Molecular Weight460.65 g/mol
Exact Mass460.25
IUPAC Namemethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(phenylmethoxyamino)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-7-carboxylate
SMILESCOC(=O)C1NCC(NOCc2ccccc2)c2cnn(CCO[Si](C)(C)C(C)(C)C)c21
InChIInChI=1S/C23H36N4O4Si/c1-23(2,3)32(5,6)31-13-12-27-21-18(14-25-27)19(15-24-20(21)22(28)29-4)26-30-16-17-10-8-7-9-11-17/h7-11,14,19-20,24,26H,12-13,15-16H2,1-6H3
InChIKeyIWPCQGPCMBPBPB-UHFFFAOYSA-N
XLogP3.48
TPSA86.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.65
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(phenylmethoxyamino)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-7-carboxylate?
The IUPAC name of methyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(phenylmethoxyamino)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-7-carboxylate (CID 153408296) is methyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(phenylmethoxyamino)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(phenylmethoxyamino)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(phenylmethoxyamino)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-7-carboxylate is COC(=O)C1NCC(NOCc2ccccc2)c2cnn(CCO[Si](C)(C)C(C)(C)C)c21.
What is the InChIKey of methyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(phenylmethoxyamino)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-7-carboxylate?
The InChIKey is IWPCQGPCMBPBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O4Si/c1-23(2,3)32(5,6)31-13-12-27-21-18(14-25-27)19(15-24-20(21)22(28)29-4)26-30-16-17-10-8-7-9-11-17/h7-11,14,19-20,24,26H,12-13,15-16H2,1-6H3.
What are the key properties of methyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(phenylmethoxyamino)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-7-carboxylate?
methyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(phenylmethoxyamino)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-7-carboxylate has a molecular weight of 460.65 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(phenylmethoxyamino)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-7-carboxylate is sourced from PubChem (CID 153408296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).