methyl 5-[[2-(2,2-dimethyloxan-4-yl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

C17H22N4O5 — CID 128962868

IUPACmethyl 5-[[2-(2,2-dimethyloxan-4-yl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(NC(=O)CC2CCOC(C)(C)C2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C17H22N4O5/c1-17(2)7-10(4-5-26-17)6-13(22)20-21-8-11-14(18-19-15(11)23)12(9-21)16(24)25-3/h8-10H,4-7H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyAIIBJZLWYAWKAO-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.13
Rot. Bonds4

About methyl 5-[[2-(2,2-dimethyloxan-4-yl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate

methyl 5-[[2-(2,2-dimethyloxan-4-yl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (PubChem CID 128962868) has the molecular formula C17H22N4O5 and a molecular weight of 362.39 g/mol. Its IUPAC name is methyl 5-[[2-(2,2-dimethyloxan-4-yl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-(2,2-dimethyloxan-4-yl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
PubChem CID128962868
Molecular FormulaC17H22N4O5
Molecular Weight362.39 g/mol
Exact Mass362.16
IUPAC Namemethyl 5-[[2-(2,2-dimethyloxan-4-yl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate
SMILESCOC(=O)c1cn(NC(=O)CC2CCOC(C)(C)C2)cc2c(=O)[nH]nc1-2
InChIInChI=1S/C17H22N4O5/c1-17(2)7-10(4-5-26-17)6-13(22)20-21-8-11-14(18-19-15(11)23)12(9-21)16(24)25-3/h8-10H,4-7H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyAIIBJZLWYAWKAO-UHFFFAOYSA-N
XLogP1.13
TPSA115.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[2-(2,2-dimethyloxan-4-yl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(2,2-dimethyloxan-4-yl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The IUPAC name of methyl 5-[[2-(2,2-dimethyloxan-4-yl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate (CID 128962868) is methyl 5-[[2-(2,2-dimethyloxan-4-yl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 5-[[2-(2,2-dimethyloxan-4-yl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 5-[[2-(2,2-dimethyloxan-4-yl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is COC(=O)c1cn(NC(=O)CC2CCOC(C)(C)C2)cc2c(=O)[nH]nc1-2.
What is the InChIKey of methyl 5-[[2-(2,2-dimethyloxan-4-yl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
The InChIKey is AIIBJZLWYAWKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5/c1-17(2)7-10(4-5-26-17)6-13(22)20-21-8-11-14(18-19-15(11)23)12(9-21)16(24)25-3/h8-10H,4-7H2,1-3H3,(H,19,23)(H,20,22).
What are the key properties of methyl 5-[[2-(2,2-dimethyloxan-4-yl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate?
methyl 5-[[2-(2,2-dimethyloxan-4-yl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate has a molecular weight of 362.39 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(2,2-dimethyloxan-4-yl)acetyl]amino]-3-oxo-2H-pyrazolo[4,3-c]pyridine-7-carboxylate is sourced from PubChem (CID 128962868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).