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Ethyl 5-aminopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methane

C22H27N5O4 — CID 158308405

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethyl 5-aminopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methane
SMILESC.CCOC(=O)c1cnn2ccc(C)cc12.CCOC(=O)c1cnn2ccc(N)cc12
InChIInChI=1S/C11H12N2O2.C10H11N3O2.CH4/c1-3-15-11(14)9-7-12-13-5-4-8(2)6-10(9)13;1-2-15-10(14)8-6-12-13-4-3-7(11)5-9(8)13;/h4-7H,3H2,1-2H3;3-6H,2,11H2,1H3;1H4
InChIKeyGNJNDVSHTKNEDJ-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.55
Rot. Bonds4

About Ethyl 5-aminopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methane

Ethyl 5-aminopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methane (PubChem CID 158308405) has the molecular formula C22H27N5O4 and a molecular weight of 425.49 g/mol. Its IUPAC name is ethyl 5-aminopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methane.

Molecular Properties

Compound NameEthyl 5-aminopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methane
PubChem CID158308405
Molecular FormulaC22H27N5O4
Molecular Weight425.49 g/mol
Exact Mass425.21
IUPAC Nameethyl 5-aminopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methane
SMILESC.CCOC(=O)c1cnn2ccc(C)cc12.CCOC(=O)c1cnn2ccc(N)cc12
InChIInChI=1S/C11H12N2O2.C10H11N3O2.CH4/c1-3-15-11(14)9-7-12-13-5-4-8(2)6-10(9)13;1-2-15-10(14)8-6-12-13-4-3-7(11)5-9(8)13;/h4-7H,3H2,1-2H3;3-6H,2,11H2,1H3;1H4
InChIKeyGNJNDVSHTKNEDJ-UHFFFAOYSA-N
XLogP3.55
TPSA113.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of Ethyl 5-aminopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methane?
The IUPAC name of Ethyl 5-aminopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methane (CID 158308405) is ethyl 5-aminopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methane.
What is the SMILES notation for Ethyl 5-aminopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methane?
The canonical SMILES for Ethyl 5-aminopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methane is C.CCOC(=O)c1cnn2ccc(C)cc12.CCOC(=O)c1cnn2ccc(N)cc12.
What is the InChIKey of Ethyl 5-aminopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methane?
The InChIKey is GNJNDVSHTKNEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2.C10H11N3O2.CH4/c1-3-15-11(14)9-7-12-13-5-4-8(2)6-10(9)13;1-2-15-10(14)8-6-12-13-4-3-7(11)5-9(8)13;/h4-7H,3H2,1-2H3;3-6H,2,11H2,1H3;1H4.
What are the key properties of Ethyl 5-aminopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methane?
Ethyl 5-aminopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methane has a molecular weight of 425.49 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl 5-aminopyrazolo[1,5-a]pyridine-3-carboxylate;ethyl 5-methylpyrazolo[1,5-a]pyridine-3-carboxylate;methane is sourced from PubChem (CID 158308405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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