2-[ethyl-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid

C21H24N4O3 — CID 120519811

IUPAC2-[ethyl-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cc(-c2ccc(C)cc2)nc2c1cnn2C(C)C
InChIInChI=1S/C21H24N4O3/c1-5-24(12-19(26)27)21(28)16-10-18(15-8-6-14(4)7-9-15)23-20-17(16)11-22-25(20)13(2)3/h6-11,13H,5,12H2,1-4H3,(H,26,27)
InChIKeyQNXPRZOTZSCIOT-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.53
Rot. Bonds6

About 2-[ethyl-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid

2-[ethyl-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid (PubChem CID 120519811) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[ethyl-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid
PubChem CID120519811
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-[ethyl-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cc(-c2ccc(C)cc2)nc2c1cnn2C(C)C
InChIInChI=1S/C21H24N4O3/c1-5-24(12-19(26)27)21(28)16-10-18(15-8-6-14(4)7-9-15)23-20-17(16)11-22-25(20)13(2)3/h6-11,13H,5,12H2,1-4H3,(H,26,27)
InChIKeyQNXPRZOTZSCIOT-UHFFFAOYSA-N
XLogP3.53
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-(2-methylprop-2-enyl)-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 29496253
N-butan-2-yl-N-methyl-6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55589524
methyl 6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693200
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 35363125
3-[(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 120519941
6-(2,5-dimethylthiophen-3-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24590805
1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)ethanone
CID 59373559
6-phenyl-1-propan-2-yl-N-propyl-N-(2-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 47081200
2-[[6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]-methylamino]acetic acid
CID 119346529
[3-[(dimethylamino)methyl]azetidin-1-yl]-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 146107671
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 17488314
[2-oxo-2-(pentan-3-ylamino)ethyl] 6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46693206

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid (CID 120519811) is 2-[ethyl-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid is CCN(CC(=O)O)C(=O)c1cc(-c2ccc(C)cc2)nc2c1cnn2C(C)C.
What is the InChIKey of 2-[ethyl-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid?
The InChIKey is QNXPRZOTZSCIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-5-24(12-19(26)27)21(28)16-10-18(15-8-6-14(4)7-9-15)23-20-17(16)11-22-25(20)13(2)3/h6-11,13H,5,12H2,1-4H3,(H,26,27).
What are the key properties of 2-[ethyl-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid?
2-[ethyl-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid has a molecular weight of 380.45 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 120519811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).