dimethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3,4-dicarboxylate

C16H19N3O6 — CID 177199180

IUPACdimethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3,4-dicarboxylate
SMILESCOC(=O)c1cnn2ccc(NC(=O)OC(C)(C)C)c(C(=O)OC)c12
InChIInChI=1S/C16H19N3O6/c1-16(2,3)25-15(22)18-10-6-7-19-12(11(10)14(21)24-5)9(8-17-19)13(20)23-4/h6-8H,1-5H3,(H,18,22)
InChIKeyDBVBJUXSECBQCH-UHFFFAOYSA-N
MW349.34 g/mol
LogP2.25
Rot. Bonds3

About dimethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3,4-dicarboxylate

dimethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3,4-dicarboxylate (PubChem CID 177199180) has the molecular formula C16H19N3O6 and a molecular weight of 349.34 g/mol. Its IUPAC name is dimethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3,4-dicarboxylate
PubChem CID177199180
Molecular FormulaC16H19N3O6
Molecular Weight349.34 g/mol
Exact Mass349.13
IUPAC Namedimethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3,4-dicarboxylate
SMILESCOC(=O)c1cnn2ccc(NC(=O)OC(C)(C)C)c(C(=O)OC)c12
InChIInChI=1S/C16H19N3O6/c1-16(2,3)25-15(22)18-10-6-7-19-12(11(10)14(21)24-5)9(8-17-19)13(20)23-4/h6-8H,1-5H3,(H,18,22)
InChIKeyDBVBJUXSECBQCH-UHFFFAOYSA-N
XLogP2.25
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

methyl 4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 65142670
methyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-phenylpyrazole-4-carboxylate
CID 91654872
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-2-carboxylate
CID 170622859
methyl 5-methylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 53399588
tert-butyl N-(6-bromopyrazolo[1,5-a]pyridin-3-yl)carbamate
CID 137347375
tert-butyl N-(3-bromopyrazolo[1,5-a]pyridin-5-yl)carbamate
CID 90175973
methyl 6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 178148126
tert-butyl N-(1,5-dimethylpyrazol-4-yl)carbamate
CID 67304447
methyl 5-iodopyrazolo[1,5-a]pyridine-3-carboxylate
CID 121231756
methyl 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 69368154
tert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate
CID 146155648
methyl 2-bromo-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 146273918

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3,4-dicarboxylate?
The IUPAC name of dimethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3,4-dicarboxylate (CID 177199180) is dimethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3,4-dicarboxylate?
The canonical SMILES for dimethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3,4-dicarboxylate is COC(=O)c1cnn2ccc(NC(=O)OC(C)(C)C)c(C(=O)OC)c12.
What is the InChIKey of dimethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3,4-dicarboxylate?
The InChIKey is DBVBJUXSECBQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O6/c1-16(2,3)25-15(22)18-10-6-7-19-12(11(10)14(21)24-5)9(8-17-19)13(20)23-4/h6-8H,1-5H3,(H,18,22).
What are the key properties of dimethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3,4-dicarboxylate?
dimethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3,4-dicarboxylate has a molecular weight of 349.34 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3,4-dicarboxylate is sourced from PubChem (CID 177199180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).