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

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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).