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

C22H27N5O4 — CID 158308405

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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Related Compounds

Ethyl pyrazolo(1,5-a)pyridine-3-carboxylate
CID 2795464
(1-Amino-1-oxopropan-2-yl) 1-phenyl-3-pyridin-3-ylpyrazole-4-carboxylate
CID 4882528
ethyl 4-(4-benzylphenylamino)-3-cyano-5-methylH-pyrrolo[1,2-b]pyridazine-6-carboxylate
CID 20791619
[(1S,5R)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl] 1-(1-methylpyrazol-4-yl)indole-3-carboxylate
CID 89927732
Methyl 1-phenyl-3-(3-pyridyl)pyrazole-4-carboxylate
CID 752167
ethyl 1-phenyl-3-(3-pyridinyl)-1H-pyrazole-4-carboxylate
CID 883633
ethyl 4-({[1-phenyl-3-(4-pyridinyl)-1H-pyrazol-4-yl]carbonyl}amino)benzoate
CID 1287871
benzyl 1-phenyl-3-(4-pyridinyl)-1H-pyrazole-4-carboxylate
CID 1288496
Ethyl 4-[1-(pyridin-2-ylmethyl)indazol-3-yl]benzoate
CID 44451921
Ethyl 4-(4-anilinoanilino)-3-cyano-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylate
CID 20791616
Pyrazolo[1,5-a]pyridine-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 19770958
3-Oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1-methylpyrazol-4-yl)indole-3-carboxylate
CID 89927733

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).