ethyl 6-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate

C15H18ClN3O4 — CID 121414380

IUPACethyl 6-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2cc(Cl)c(NC(=O)OC(C)(C)C)cc12
InChIInChI=1S/C15H18ClN3O4/c1-5-22-13(20)9-7-17-19-8-10(16)11(6-12(9)19)18-14(21)23-15(2,3)4/h6-8H,5H2,1-4H3,(H,18,21)
InChIKeyYXIZDOKKEIZPQP-UHFFFAOYSA-N
MW339.78 g/mol
LogP3.51
Rot. Bonds3

About ethyl 6-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 6-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 121414380) has the molecular formula C15H18ClN3O4 and a molecular weight of 339.78 g/mol. Its IUPAC name is ethyl 6-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID121414380
Molecular FormulaC15H18ClN3O4
Molecular Weight339.78 g/mol
Exact Mass339.10
IUPAC Nameethyl 6-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2cc(Cl)c(NC(=O)OC(C)(C)C)cc12
InChIInChI=1S/C15H18ClN3O4/c1-5-22-13(20)9-7-17-19-8-10(16)11(6-12(9)19)18-14(21)23-15(2,3)4/h6-8H,5H2,1-4H3,(H,18,21)
InChIKeyYXIZDOKKEIZPQP-UHFFFAOYSA-N
XLogP3.51
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 121414380) is ethyl 6-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1cnn2cc(Cl)c(NC(=O)OC(C)(C)C)cc12.
What is the InChIKey of ethyl 6-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is YXIZDOKKEIZPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O4/c1-5-22-13(20)9-7-17-19-8-10(16)11(6-12(9)19)18-14(21)23-15(2,3)4/h6-8H,5H2,1-4H3,(H,18,21).
What are the key properties of ethyl 6-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 6-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 339.78 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 121414380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).