4-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid

C25H24N4O3 — CID 126742908

IUPAC4-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCc1nn(-c2ccccc2)c2nc(C(=O)O)cc(-c3ccc(N4CCC(O)CC4)cc3)c12
InChIInChI=1S/C25H24N4O3/c1-16-23-21(17-7-9-18(10-8-17)28-13-11-20(30)12-14-28)15-22(25(31)32)26-24(23)29(27-16)19-5-3-2-4-6-19/h2-10,15,20,30H,11-14H2,1H3,(H,31,32)
InChIKeyJROGWPHFMNZVSM-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.06
Rot. Bonds4

About 4-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid

4-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126742908) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 4-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID126742908
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name4-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCc1nn(-c2ccccc2)c2nc(C(=O)O)cc(-c3ccc(N4CCC(O)CC4)cc3)c12
InChIInChI=1S/C25H24N4O3/c1-16-23-21(17-7-9-18(10-8-17)28-13-11-20(30)12-14-28)15-22(25(31)32)26-24(23)29(27-16)19-5-3-2-4-6-19/h2-10,15,20,30H,11-14H2,1H3,(H,31,32)
InChIKeyJROGWPHFMNZVSM-UHFFFAOYSA-N
XLogP4.06
TPSA91.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 4-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126742908) is 4-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 4-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid is Cc1nn(-c2ccccc2)c2nc(C(=O)O)cc(-c3ccc(N4CCC(O)CC4)cc3)c12.
What is the InChIKey of 4-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is JROGWPHFMNZVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-16-23-21(17-7-9-18(10-8-17)28-13-11-20(30)12-14-28)15-22(25(31)32)26-24(23)29(27-16)19-5-3-2-4-6-19/h2-10,15,20,30H,11-14H2,1H3,(H,31,32).
What are the key properties of 4-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
4-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 428.49 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126742908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).