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

C28H25N5O2 — CID 57328408

IUPAC4-[4-(diethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCCN(CC)c1ccc(-c2cc(C(=O)O)nc3c2c(-c2cccnc2)nn3-c2ccccc2)cc1
InChIInChI=1S/C28H25N5O2/c1-3-32(4-2)21-14-12-19(13-15-21)23-17-24(28(34)35)30-27-25(23)26(20-9-8-16-29-18-20)31-33(27)22-10-6-5-7-11-22/h5-18H,3-4H2,1-2H3,(H,34,35)
InChIKeySDIDPEKFUJWSFJ-UHFFFAOYSA-N
MW463.54 g/mol
LogP5.69
Rot. Bonds7

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

4-[4-(diethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 57328408) has the molecular formula C28H25N5O2 and a molecular weight of 463.54 g/mol. Its IUPAC name is 4-[4-(diethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-[4-(diethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID57328408
Molecular FormulaC28H25N5O2
Molecular Weight463.54 g/mol
Exact Mass463.20
IUPAC Name4-[4-(diethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCCN(CC)c1ccc(-c2cc(C(=O)O)nc3c2c(-c2cccnc2)nn3-c2ccccc2)cc1
InChIInChI=1S/C28H25N5O2/c1-3-32(4-2)21-14-12-19(13-15-21)23-17-24(28(34)35)30-27-25(23)26(20-9-8-16-29-18-20)31-33(27)22-10-6-5-7-11-22/h5-18H,3-4H2,1-2H3,(H,34,35)
InChIKeySDIDPEKFUJWSFJ-UHFFFAOYSA-N
XLogP5.69
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.54
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-(diethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(diethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 4-[4-(diethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 57328408) is 4-[4-(diethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-[4-(diethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 4-[4-(diethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is CCN(CC)c1ccc(-c2cc(C(=O)O)nc3c2c(-c2cccnc2)nn3-c2ccccc2)cc1.
What is the InChIKey of 4-[4-(diethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is SDIDPEKFUJWSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O2/c1-3-32(4-2)21-14-12-19(13-15-21)23-17-24(28(34)35)30-27-25(23)26(20-9-8-16-29-18-20)31-33(27)22-10-6-5-7-11-22/h5-18H,3-4H2,1-2H3,(H,34,35).
What are the key properties of 4-[4-(diethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
4-[4-(diethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 463.54 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(diethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 57328408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).