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

C16H19N3O4 — CID 121246639

IUPACprop-2-enyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESC=CCOC(=O)c1cnn2ccc(NC(=O)OC(C)(C)C)cc12
InChIInChI=1S/C16H19N3O4/c1-5-8-22-14(20)12-10-17-19-7-6-11(9-13(12)19)18-15(21)23-16(2,3)4/h5-7,9-10H,1,8H2,2-4H3,(H,18,21)
InChIKeyPFRWKWVAEQNGDZ-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.02
Rot. Bonds4

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

prop-2-enyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 121246639) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is prop-2-enyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID121246639
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Nameprop-2-enyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESC=CCOC(=O)c1cnn2ccc(NC(=O)OC(C)(C)C)cc12
InChIInChI=1S/C16H19N3O4/c1-5-8-22-14(20)12-10-17-19-7-6-11(9-13(12)19)18-15(21)23-16(2,3)4/h5-7,9-10H,1,8H2,2-4H3,(H,18,21)
InChIKeyPFRWKWVAEQNGDZ-UHFFFAOYSA-N
XLogP3.02
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of prop-2-enyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 121246639) is prop-2-enyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for prop-2-enyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for prop-2-enyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate is C=CCOC(=O)c1cnn2ccc(NC(=O)OC(C)(C)C)cc12.
What is the InChIKey of prop-2-enyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is PFRWKWVAEQNGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-5-8-22-14(20)12-10-17-19-7-6-11(9-13(12)19)18-15(21)23-16(2,3)4/h5-7,9-10H,1,8H2,2-4H3,(H,18,21).
What are the key properties of prop-2-enyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate?
prop-2-enyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 317.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 121246639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).