3-(hydroxymethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid

C24H22N4O4 — CID 126743063

IUPAC3-(hydroxymethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(N3CCOCC3)cc2)c2c(CO)nn(-c3ccccc3)c2n1
InChIInChI=1S/C24H22N4O4/c29-15-21-22-19(16-6-8-17(9-7-16)27-10-12-32-13-11-27)14-20(24(30)31)25-23(22)28(26-21)18-4-2-1-3-5-18/h1-9,14,29H,10-13,15H2,(H,30,31)
InChIKeyHKVJPJPPGZBSPU-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.11
Rot. Bonds5

About 3-(hydroxymethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid

3-(hydroxymethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126743063) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 3-(hydroxymethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-(hydroxymethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID126743063
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name3-(hydroxymethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(N3CCOCC3)cc2)c2c(CO)nn(-c3ccccc3)c2n1
InChIInChI=1S/C24H22N4O4/c29-15-21-22-19(16-6-8-17(9-7-16)27-10-12-32-13-11-27)14-20(24(30)31)25-23(22)28(26-21)18-4-2-1-3-5-18/h1-9,14,29H,10-13,15H2,(H,30,31)
InChIKeyHKVJPJPPGZBSPU-UHFFFAOYSA-N
XLogP3.11
TPSA100.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 3-(hydroxymethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126743063) is 3-(hydroxymethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-(hydroxymethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 3-(hydroxymethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid is O=C(O)c1cc(-c2ccc(N3CCOCC3)cc2)c2c(CO)nn(-c3ccccc3)c2n1.
What is the InChIKey of 3-(hydroxymethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is HKVJPJPPGZBSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c29-15-21-22-19(16-6-8-17(9-7-16)27-10-12-32-13-11-27)14-20(24(30)31)25-23(22)28(26-21)18-4-2-1-3-5-18/h1-9,14,29H,10-13,15H2,(H,30,31).
What are the key properties of 3-(hydroxymethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
3-(hydroxymethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 430.46 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-4-(4-morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126743063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).