6-O-tert-butyl 2-O-methyl 4-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridine-2,6-dicarboxylate;ethane

C17H24N2O5 — CID 145428718

IUPAC6-O-tert-butyl 2-O-methyl 4-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridine-2,6-dicarboxylate;ethane
SMILESCC.COC(=O)c1cc(C)c2c(n1)C(=O)N(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C15H18N2O5.C2H6/c1-8-6-10(13(19)21-5)16-11-9(8)7-17(12(11)18)14(20)22-15(2,3)4;1-2/h6H,7H2,1-5H3;1-2H3
InChIKeyVCTJJACZVZOCTP-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.09
Rot. Bonds1

About 6-O-tert-butyl 2-O-methyl 4-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridine-2,6-dicarboxylate;ethane

6-O-tert-butyl 2-O-methyl 4-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridine-2,6-dicarboxylate;ethane (PubChem CID 145428718) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is 6-O-tert-butyl 2-O-methyl 4-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridine-2,6-dicarboxylate;ethane.

Molecular Properties

Compound Name6-O-tert-butyl 2-O-methyl 4-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridine-2,6-dicarboxylate;ethane
PubChem CID145428718
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name6-O-tert-butyl 2-O-methyl 4-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridine-2,6-dicarboxylate;ethane
SMILESCC.COC(=O)c1cc(C)c2c(n1)C(=O)N(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C15H18N2O5.C2H6/c1-8-6-10(13(19)21-5)16-11-9(8)7-17(12(11)18)14(20)22-15(2,3)4;1-2/h6H,7H2,1-5H3;1-2H3
InChIKeyVCTJJACZVZOCTP-UHFFFAOYSA-N
XLogP3.09
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-O-tert-butyl 2-O-methyl 4-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridine-2,6-dicarboxylate;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-bromo-7-oxo-5H-pyrrolo[3,4-b]pyridine-6-carboxylate
CID 171487998
ditert-butyl 5-methoxy-1-oxo-3H-isoindole-2,4-dicarboxylate
CID 178110042
tert-butyl 4-(2-chloro-6-methoxycarbonyl-4-pyridinyl)piperazine-1-carboxylate
CID 178116339
tert-butyl 4-chloro-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate
CID 129073558
tert-butyl 5-methyl-3-oxo-1H-isoindole-2-carboxylate
CID 163719423
tert-butyl 2-oxo-3-azabicyclo[3.2.2]nona-1(7),5,8-triene-3-carboxylate
CID 67232440
tert-butyl 7-bromo-3-oxo-1H-isoindole-2-carboxylate
CID 86593478
4-O-tert-butyl 2-O-methyl 6-(methylcarbamoyl)pyridine-2,4-dicarboxylate
CID 131997252
2-O-tert-butyl 5-O,6-O-dimethyl 1,3-dihydroisoindole-2,5,6-tricarboxylate
CID 154730420
tert-butyl 2-chloro-4-methyl-5-oxo-7,8-dihydro-1,6-naphthyridine-6-carboxylate
CID 86690274
tert-butyl 5,7-dimethyl-4-oxo-2,3-dihydro-1,8-naphthyridine-1-carboxylate
CID 172639063
1-O-tert-butyl 3-O-methyl 5-bromopyrrole-1,3-dicarboxylate
CID 46779120

Frequently Asked Questions

What is the IUPAC name of 6-O-tert-butyl 2-O-methyl 4-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridine-2,6-dicarboxylate;ethane?
The IUPAC name of 6-O-tert-butyl 2-O-methyl 4-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridine-2,6-dicarboxylate;ethane (CID 145428718) is 6-O-tert-butyl 2-O-methyl 4-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridine-2,6-dicarboxylate;ethane.
What is the SMILES notation for 6-O-tert-butyl 2-O-methyl 4-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridine-2,6-dicarboxylate;ethane?
The canonical SMILES for 6-O-tert-butyl 2-O-methyl 4-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridine-2,6-dicarboxylate;ethane is CC.COC(=O)c1cc(C)c2c(n1)C(=O)N(C(=O)OC(C)(C)C)C2.
What is the InChIKey of 6-O-tert-butyl 2-O-methyl 4-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridine-2,6-dicarboxylate;ethane?
The InChIKey is VCTJJACZVZOCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5.C2H6/c1-8-6-10(13(19)21-5)16-11-9(8)7-17(12(11)18)14(20)22-15(2,3)4;1-2/h6H,7H2,1-5H3;1-2H3.
What are the key properties of 6-O-tert-butyl 2-O-methyl 4-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridine-2,6-dicarboxylate;ethane?
6-O-tert-butyl 2-O-methyl 4-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridine-2,6-dicarboxylate;ethane has a molecular weight of 336.39 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-O-tert-butyl 2-O-methyl 4-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridine-2,6-dicarboxylate;ethane is sourced from PubChem (CID 145428718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).