3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid

C19H20N4O3 — CID 119362192

IUPAC3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid
SMILESCCn1ncc2c(C(=O)N(C)CCC(=O)O)cc(-c3ccccc3)nc21
InChIInChI=1S/C19H20N4O3/c1-3-23-18-15(12-20-23)14(19(26)22(2)10-9-17(24)25)11-16(21-18)13-7-5-4-6-8-13/h4-8,11-12H,3,9-10H2,1-2H3,(H,24,25)
InChIKeyCTUDRANLQLCHIH-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.66
Rot. Bonds6

About 3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid

3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid (PubChem CID 119362192) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid
PubChem CID119362192
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid
SMILESCCn1ncc2c(C(=O)N(C)CCC(=O)O)cc(-c3ccccc3)nc21
InChIInChI=1S/C19H20N4O3/c1-3-23-18-15(12-20-23)14(19(26)22(2)10-9-17(24)25)11-16(21-18)13-7-5-4-6-8-13/h4-8,11-12H,3,9-10H2,1-2H3,(H,24,25)
InChIKeyCTUDRANLQLCHIH-UHFFFAOYSA-N
XLogP2.66
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 43041617
1-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 43054400
N,1-diethyl-N-(2-methylphenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46559207
N-(3-aminopropyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119405435
[1-(benzylamino)-1-oxopropan-2-yl] 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693529
1-ethyl-6-phenyl-N-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 25400422
methyl 6-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoate
CID 30125131
N-(2,4-dimethylphenyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44823079
3-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 120519941
N-(4,5-dihydro-1,3-thiazol-2-yl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17462030
1-ethyl-N-[2-(4-fluorophenyl)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55486953
1-ethyl-6-phenyl-N'-(1H-pyrrole-2-carbonyl)pyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 78835097

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid?
The IUPAC name of 3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid (CID 119362192) is 3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid.
What is the SMILES notation for 3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid?
The canonical SMILES for 3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid is CCn1ncc2c(C(=O)N(C)CCC(=O)O)cc(-c3ccccc3)nc21.
What is the InChIKey of 3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid?
The InChIKey is CTUDRANLQLCHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-3-23-18-15(12-20-23)14(19(26)22(2)10-9-17(24)25)11-16(21-18)13-7-5-4-6-8-13/h4-8,11-12H,3,9-10H2,1-2H3,(H,24,25).
What are the key properties of 3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid?
3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid has a molecular weight of 352.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid is sourced from PubChem (CID 119362192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).