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

C15H19N3O4 — CID 59476240

IUPACethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)OC(C)(C)C)cc12
InChIInChI=1S/C15H19N3O4/c1-5-21-13(19)11-9-16-18-7-6-10(8-12(11)18)17-14(20)22-15(2,3)4/h6-9H,5H2,1-4H3,(H,17,20)
InChIKeyJZRCTBDEZJDQIY-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.86
Rot. Bonds3

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

ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 59476240) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID59476240
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Nameethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)OC(C)(C)C)cc12
InChIInChI=1S/C15H19N3O4/c1-5-21-13(19)11-9-16-18-7-6-10(8-12(11)18)17-14(20)22-15(2,3)4/h6-9H,5H2,1-4H3,(H,17,20)
InChIKeyJZRCTBDEZJDQIY-UHFFFAOYSA-N
XLogP2.86
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 59476240) is ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1cnn2ccc(NC(=O)OC(C)(C)C)cc12.
What is the InChIKey of ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is JZRCTBDEZJDQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-5-21-13(19)11-9-16-18-7-6-10(8-12(11)18)17-14(20)22-15(2,3)4/h6-9H,5H2,1-4H3,(H,17,20).
What are the key properties of ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 305.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 59476240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).