ethane;ethyl 5-amino-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylate

C17H25N3O3 — CID 155702373

IUPACethane;ethyl 5-amino-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylate
SMILESCC.CCOC(=O)c1cn2nc(C3CCOCC3)cc2cc1N
InChIInChI=1S/C15H19N3O3.C2H6/c1-2-21-15(19)12-9-18-11(7-13(12)16)8-14(17-18)10-3-5-20-6-4-10;1-2/h7-10H,2-6,16H2,1H3;1-2H3
InChIKeyXPRJKYARMJOYMX-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.01
Rot. Bonds3

About ethane;ethyl 5-amino-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylate

ethane;ethyl 5-amino-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylate (PubChem CID 155702373) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is ethane;ethyl 5-amino-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 5-amino-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylate
PubChem CID155702373
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Nameethane;ethyl 5-amino-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylate
SMILESCC.CCOC(=O)c1cn2nc(C3CCOCC3)cc2cc1N
InChIInChI=1S/C15H19N3O3.C2H6/c1-2-21-15(19)12-9-18-11(7-13(12)16)8-14(17-18)10-3-5-20-6-4-10;1-2/h7-10H,2-6,16H2,1H3;1-2H3
InChIKeyXPRJKYARMJOYMX-UHFFFAOYSA-N
XLogP3.01
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 5-amino-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of ethane;ethyl 5-amino-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylate (CID 155702373) is ethane;ethyl 5-amino-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for ethane;ethyl 5-amino-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for ethane;ethyl 5-amino-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylate is CC.CCOC(=O)c1cn2nc(C3CCOCC3)cc2cc1N.
What is the InChIKey of ethane;ethyl 5-amino-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylate?
The InChIKey is XPRJKYARMJOYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3.C2H6/c1-2-21-15(19)12-9-18-11(7-13(12)16)8-14(17-18)10-3-5-20-6-4-10;1-2/h7-10H,2-6,16H2,1H3;1-2H3.
What are the key properties of ethane;ethyl 5-amino-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylate?
ethane;ethyl 5-amino-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylate has a molecular weight of 319.41 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 5-amino-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 155702373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).