3-[3-ethoxypropyl(pyrazolo[1,5-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid

C17H23N3O4 — CID 119208272

IUPAC3-[3-ethoxypropyl(pyrazolo[1,5-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid
SMILESCCOCCCN(CC(C)C(=O)O)C(=O)c1cnn2ccccc12
InChIInChI=1S/C17H23N3O4/c1-3-24-10-6-8-19(12-13(2)17(22)23)16(21)14-11-18-20-9-5-4-7-15(14)20/h4-5,7,9,11,13H,3,6,8,10,12H2,1-2H3,(H,22,23)
InChIKeyIOSAEIMIDUNUDW-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.92
Rot. Bonds9

About 3-[3-ethoxypropyl(pyrazolo[1,5-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid

3-[3-ethoxypropyl(pyrazolo[1,5-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 119208272) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-[3-ethoxypropyl(pyrazolo[1,5-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[3-ethoxypropyl(pyrazolo[1,5-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid
PubChem CID119208272
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name3-[3-ethoxypropyl(pyrazolo[1,5-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid
SMILESCCOCCCN(CC(C)C(=O)O)C(=O)c1cnn2ccccc12
InChIInChI=1S/C17H23N3O4/c1-3-24-10-6-8-19(12-13(2)17(22)23)16(21)14-11-18-20-9-5-4-7-15(14)20/h4-5,7,9,11,13H,3,6,8,10,12H2,1-2H3,(H,22,23)
InChIKeyIOSAEIMIDUNUDW-UHFFFAOYSA-N
XLogP1.92
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chlorobenzoyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 119208279
N-(3-aminopropyl)-N-(2-methylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103115836
3-[3-ethoxypropyl-(3-pyrrol-1-ylbenzoyl)amino]-2-methylpropanoic acid
CID 119208614
3-[3-ethoxypropyl-(1-methylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 119208607
3-[3-ethoxypropyl-(1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 119208314
3-[3-ethoxypropyl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-2-methylpropanoic acid
CID 120520330
N-(2-aminoethyl)-N-butylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 103123033
3-[(1,5-dimethylpyrrole-2-carbonyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 119208438
3-[(5-chloropyridine-2-carbonyl)-(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 120520331
3-[3-ethoxypropyl-(3-methylpyridine-2-carbonyl)amino]-2-methylpropanoic acid
CID 120520296
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 107483137
3-[3-ethoxypropyl-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 120520336

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethoxypropyl(pyrazolo[1,5-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[3-ethoxypropyl(pyrazolo[1,5-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid (CID 119208272) is 3-[3-ethoxypropyl(pyrazolo[1,5-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[3-ethoxypropyl(pyrazolo[1,5-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[3-ethoxypropyl(pyrazolo[1,5-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid is CCOCCCN(CC(C)C(=O)O)C(=O)c1cnn2ccccc12.
What is the InChIKey of 3-[3-ethoxypropyl(pyrazolo[1,5-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is IOSAEIMIDUNUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-3-24-10-6-8-19(12-13(2)17(22)23)16(21)14-11-18-20-9-5-4-7-15(14)20/h4-5,7,9,11,13H,3,6,8,10,12H2,1-2H3,(H,22,23).
What are the key properties of 3-[3-ethoxypropyl(pyrazolo[1,5-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid?
3-[3-ethoxypropyl(pyrazolo[1,5-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 333.39 g/mol, XLogP of 1.92, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethoxypropyl(pyrazolo[1,5-a]pyridine-3-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 119208272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).