4-[4-(dimethylamino)phenyl]-1-(2-oxo-1H-pyridin-4-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid

C23H23N5O3 — CID 126765596

IUPAC4-[4-(dimethylamino)phenyl]-1-(2-oxo-1H-pyridin-4-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCC(C)c1nn(-c2cc[nH]c(=O)c2)c2nc(C(=O)O)cc(-c3ccc(N(C)C)cc3)c12
InChIInChI=1S/C23H23N5O3/c1-13(2)21-20-17(14-5-7-15(8-6-14)27(3)4)12-18(23(30)31)25-22(20)28(26-21)16-9-10-24-19(29)11-16/h5-13H,1-4H3,(H,24,29)(H,30,31)
InChIKeyZWNHSGUNTNBPNH-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.66
Rot. Bonds5

About 4-[4-(dimethylamino)phenyl]-1-(2-oxo-1H-pyridin-4-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid

4-[4-(dimethylamino)phenyl]-1-(2-oxo-1H-pyridin-4-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126765596) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-1-(2-oxo-1H-pyridin-4-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-1-(2-oxo-1H-pyridin-4-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID126765596
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name4-[4-(dimethylamino)phenyl]-1-(2-oxo-1H-pyridin-4-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCC(C)c1nn(-c2cc[nH]c(=O)c2)c2nc(C(=O)O)cc(-c3ccc(N(C)C)cc3)c12
InChIInChI=1S/C23H23N5O3/c1-13(2)21-20-17(14-5-7-15(8-6-14)27(3)4)12-18(23(30)31)25-22(20)28(26-21)16-9-10-24-19(29)11-16/h5-13H,1-4H3,(H,24,29)(H,30,31)
InChIKeyZWNHSGUNTNBPNH-UHFFFAOYSA-N
XLogP3.66
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[4-(dimethylamino)phenyl]-1-(2-oxo-1H-pyridin-4-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid with MolForge

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Related Compounds

1h-Pyrrolo[2,3-b]pyridine-6-carboxylic acid,3-cyclohexyl-1-methyl-2-phenyl-
CID 514293
3-Cyclohexyl-1-[2-(dimethylamino)-2-oxo-ethyl]-2-phenyl-pyrrolo[2,3-b]pyridine-6-carboxylic acid
CID 16072895
1-(4-Fluorophenyl)-3-isopropyl-6-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 25247546
4-[[8-(2-Propan-2-yl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199136
6-Ethyl-1-(4-fluorophenyl)-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 146036004
6-(4-acetamidophenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 15988335
4-[1-ethyl-3-[3-(phenylcarbamoylamino)phenyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 57394914
6-(4-Aminophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600253
6-[4-(Dimethylamino)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600254
6-(4-Acetamidophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600397
6-(4-Carbamoylphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600400
2-(Ethylcarbamoylamino)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 44571955

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-1-(2-oxo-1H-pyridin-4-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-1-(2-oxo-1H-pyridin-4-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126765596) is 4-[4-(dimethylamino)phenyl]-1-(2-oxo-1H-pyridin-4-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-1-(2-oxo-1H-pyridin-4-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-1-(2-oxo-1H-pyridin-4-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is CC(C)c1nn(-c2cc[nH]c(=O)c2)c2nc(C(=O)O)cc(-c3ccc(N(C)C)cc3)c12.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-1-(2-oxo-1H-pyridin-4-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is ZWNHSGUNTNBPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-13(2)21-20-17(14-5-7-15(8-6-14)27(3)4)12-18(23(30)31)25-22(20)28(26-21)16-9-10-24-19(29)11-16/h5-13H,1-4H3,(H,24,29)(H,30,31).
What are the key properties of 4-[4-(dimethylamino)phenyl]-1-(2-oxo-1H-pyridin-4-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
4-[4-(dimethylamino)phenyl]-1-(2-oxo-1H-pyridin-4-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 417.47 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-1-(2-oxo-1H-pyridin-4-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126765596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).