3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid

C21H24N4O4 — CID 120532182

IUPAC3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid
SMILESCCn1ncc2c(C(=O)NC(C)(COC)CC(=O)O)cc(-c3ccccc3)nc21
InChIInChI=1S/C21H24N4O4/c1-4-25-19-16(12-22-25)15(10-17(23-19)14-8-6-5-7-9-14)20(28)24-21(2,13-29-3)11-18(26)27/h5-10,12H,4,11,13H2,1-3H3,(H,24,28)(H,26,27)
InChIKeyWZJNDYIUMAHSDH-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.73
Rot. Bonds8

About 3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid

3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid (PubChem CID 120532182) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid
PubChem CID120532182
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid
SMILESCCn1ncc2c(C(=O)NC(C)(COC)CC(=O)O)cc(-c3ccccc3)nc21
InChIInChI=1S/C21H24N4O4/c1-4-25-19-16(12-22-25)15(10-17(23-19)14-8-6-5-7-9-14)20(28)24-21(2,13-29-3)11-18(26)27/h5-10,12H,4,11,13H2,1-3H3,(H,24,28)(H,26,27)
InChIKeyWZJNDYIUMAHSDH-UHFFFAOYSA-N
XLogP2.73
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid with MolForge

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Related Compounds

2-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methoxy-2-methylpropanoic acid
CID 120531682
methyl 6-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoate
CID 30125131
N-(3-aminopropyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119405435
1-ethyl-6-phenyl-N-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 25400422
N-(2,4-dimethylphenyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44823079
N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 43041617
3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid
CID 119362192
N-(4-cyanophenyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16590998
1-ethyl-6-phenyl-N'-(1H-pyrrole-2-carbonyl)pyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 78835097
1-ethyl-6-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 78859789
N-(2,3-dihydro-1H-inden-1-yl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55493888
1-ethyl-N-(1-ethyl-6-oxo-3-pyridinyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60556984

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid?
The IUPAC name of 3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid (CID 120532182) is 3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid.
What is the SMILES notation for 3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid?
The canonical SMILES for 3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid is CCn1ncc2c(C(=O)NC(C)(COC)CC(=O)O)cc(-c3ccccc3)nc21.
What is the InChIKey of 3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid?
The InChIKey is WZJNDYIUMAHSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-4-25-19-16(12-22-25)15(10-17(23-19)14-8-6-5-7-9-14)20(28)24-21(2,13-29-3)11-18(26)27/h5-10,12H,4,11,13H2,1-3H3,(H,24,28)(H,26,27).
What are the key properties of 3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid?
3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid has a molecular weight of 396.45 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxy-3-methylbutanoic acid is sourced from PubChem (CID 120532182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).