ethyl 4-(acetylamino)pyrazolo[1,5-a]pyridine-2-carboxylate;yttrium

C12H12N3O3Y- — CID 59538952

IUPACethyl 4-(acetylamino)pyrazolo[1,5-a]pyridine-2-carboxylate;yttrium
SMILES[CH2-]C(=O)Nc1cccn2nc(C(=O)OCC)cc12.[Y]
InChIInChI=1S/C12H12N3O3.Y/c1-3-18-12(17)10-7-11-9(13-8(2)16)5-4-6-15(11)14-10;/h4-7H,2-3H2,1H3,(H,13,16);/q-1;
InChIKeyPDGJLKBSZNGWHU-UHFFFAOYSA-N
MW335.15 g/mol
LogP1.28
Rot. Bonds3

About ethyl 4-(acetylamino)pyrazolo[1,5-a]pyridine-2-carboxylate;yttrium

ethyl 4-(acetylamino)pyrazolo[1,5-a]pyridine-2-carboxylate;yttrium (PubChem CID 59538952) has the molecular formula C12H12N3O3Y- and a molecular weight of 335.15 g/mol. Its IUPAC name is ethyl 4-(acetylamino)pyrazolo[1,5-a]pyridine-2-carboxylate;yttrium.

Molecular Properties

Compound Nameethyl 4-(acetylamino)pyrazolo[1,5-a]pyridine-2-carboxylate;yttrium
PubChem CID59538952
Molecular FormulaC12H12N3O3Y-
Molecular Weight335.15 g/mol
Exact Mass334.99
IUPAC Nameethyl 4-(acetylamino)pyrazolo[1,5-a]pyridine-2-carboxylate;yttrium
SMILES[CH2-]C(=O)Nc1cccn2nc(C(=O)OCC)cc12.[Y]
InChIInChI=1S/C12H12N3O3.Y/c1-3-18-12(17)10-7-11-9(13-8(2)16)5-4-6-15(11)14-10;/h4-7H,2-3H2,1H3,(H,13,16);/q-1;
InChIKeyPDGJLKBSZNGWHU-UHFFFAOYSA-N
XLogP1.28
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(acetylamino)pyrazolo[1,5-a]pyridine-2-carboxylate;yttrium?
The IUPAC name of ethyl 4-(acetylamino)pyrazolo[1,5-a]pyridine-2-carboxylate;yttrium (CID 59538952) is ethyl 4-(acetylamino)pyrazolo[1,5-a]pyridine-2-carboxylate;yttrium.
What is the SMILES notation for ethyl 4-(acetylamino)pyrazolo[1,5-a]pyridine-2-carboxylate;yttrium?
The canonical SMILES for ethyl 4-(acetylamino)pyrazolo[1,5-a]pyridine-2-carboxylate;yttrium is [CH2-]C(=O)Nc1cccn2nc(C(=O)OCC)cc12.[Y].
What is the InChIKey of ethyl 4-(acetylamino)pyrazolo[1,5-a]pyridine-2-carboxylate;yttrium?
The InChIKey is PDGJLKBSZNGWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N3O3.Y/c1-3-18-12(17)10-7-11-9(13-8(2)16)5-4-6-15(11)14-10;/h4-7H,2-3H2,1H3,(H,13,16);/q-1;.
What are the key properties of ethyl 4-(acetylamino)pyrazolo[1,5-a]pyridine-2-carboxylate;yttrium?
ethyl 4-(acetylamino)pyrazolo[1,5-a]pyridine-2-carboxylate;yttrium has a molecular weight of 335.15 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(acetylamino)pyrazolo[1,5-a]pyridine-2-carboxylate;yttrium is sourced from PubChem (CID 59538952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).