ethyl 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxylate

C15H18N2O6 — CID 102427718

IUPACethyl 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)nn2ccccc12
InChIInChI=1S/C15H18N2O6/c1-2-22-15(21)10-8-5-3-4-6-17(8)16-11(10)14-13(20)12(19)9(7-18)23-14/h3-6,9,12-14,18-20H,2,7H2,1H3/t9-,12-,13-,14+/m1/s1
InChIKeyUFERXOPBKTZQER-JXJLXUTGSA-N
MW322.32 g/mol
LogP-0.34
Rot. Bonds4

About ethyl 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 102427718) has the molecular formula C15H18N2O6 and a molecular weight of 322.32 g/mol. Its IUPAC name is ethyl 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID102427718
Molecular FormulaC15H18N2O6
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Nameethyl 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)nn2ccccc12
InChIInChI=1S/C15H18N2O6/c1-2-22-15(21)10-8-5-3-4-6-17(8)16-11(10)14-13(20)12(19)9(7-18)23-14/h3-6,9,12-14,18-20H,2,7H2,1H3/t9-,12-,13-,14+/m1/s1
InChIKeyUFERXOPBKTZQER-JXJLXUTGSA-N
XLogP-0.34
TPSA113.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 102427718) is ethyl 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1c([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)nn2ccccc12.
What is the InChIKey of ethyl 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is UFERXOPBKTZQER-JXJLXUTGSA-N. The full InChI is InChI=1S/C15H18N2O6/c1-2-22-15(21)10-8-5-3-4-6-17(8)16-11(10)14-13(20)12(19)9(7-18)23-14/h3-6,9,12-14,18-20H,2,7H2,1H3/t9-,12-,13-,14+/m1/s1.
What are the key properties of ethyl 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 322.32 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 102427718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).