4-[4-(dimethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid

C26H21N5O2 — CID 57328412

IUPAC4-[4-(dimethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCN(C)c1ccc(-c2cc(C(=O)O)nc3c2c(-c2cccnc2)nn3-c2ccccc2)cc1
InChIInChI=1S/C26H21N5O2/c1-30(2)19-12-10-17(11-13-19)21-15-22(26(32)33)28-25-23(21)24(18-7-6-14-27-16-18)29-31(25)20-8-4-3-5-9-20/h3-16H,1-2H3,(H,32,33)
InChIKeyPUPPIEMSOLRATH-UHFFFAOYSA-N
MW435.49 g/mol
LogP4.91
Rot. Bonds5

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

4-[4-(dimethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 57328412) has the molecular formula C26H21N5O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID57328412
Molecular FormulaC26H21N5O2
Molecular Weight435.49 g/mol
Exact Mass435.17
IUPAC Name4-[4-(dimethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCN(C)c1ccc(-c2cc(C(=O)O)nc3c2c(-c2cccnc2)nn3-c2ccccc2)cc1
InChIInChI=1S/C26H21N5O2/c1-30(2)19-12-10-17(11-13-19)21-15-22(26(32)33)28-25-23(21)24(18-7-6-14-27-16-18)29-31(25)20-8-4-3-5-9-20/h3-16H,1-2H3,(H,32,33)
InChIKeyPUPPIEMSOLRATH-UHFFFAOYSA-N
XLogP4.91
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 57328412) is 4-[4-(dimethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is CN(C)c1ccc(-c2cc(C(=O)O)nc3c2c(-c2cccnc2)nn3-c2ccccc2)cc1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is PUPPIEMSOLRATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2/c1-30(2)19-12-10-17(11-13-19)21-15-22(26(32)33)28-25-23(21)24(18-7-6-14-27-16-18)29-31(25)20-8-4-3-5-9-20/h3-16H,1-2H3,(H,32,33).
What are the key properties of 4-[4-(dimethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
4-[4-(dimethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 435.49 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 57328412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).