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

C25H18N4O3 — CID 57328342

IUPAC4-(4-methoxyphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)nc3c2c(-c2cccnc2)nn3-c2ccccc2)cc1
InChIInChI=1S/C25H18N4O3/c1-32-19-11-9-16(10-12-19)20-14-21(25(30)31)27-24-22(20)23(17-6-5-13-26-15-17)28-29(24)18-7-3-2-4-8-18/h2-15H,1H3,(H,30,31)
InChIKeyDFIIRLCESYNSLK-UHFFFAOYSA-N
MW422.44 g/mol
LogP4.86
Rot. Bonds5

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

4-(4-methoxyphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 57328342) has the molecular formula C25H18N4O3 and a molecular weight of 422.44 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID57328342
Molecular FormulaC25H18N4O3
Molecular Weight422.44 g/mol
Exact Mass422.14
IUPAC Name4-(4-methoxyphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)nc3c2c(-c2cccnc2)nn3-c2ccccc2)cc1
InChIInChI=1S/C25H18N4O3/c1-32-19-11-9-16(10-12-19)20-14-21(25(30)31)27-24-22(20)23(17-6-5-13-26-15-17)28-29(24)18-7-3-2-4-8-18/h2-15H,1H3,(H,30,31)
InChIKeyDFIIRLCESYNSLK-UHFFFAOYSA-N
XLogP4.86
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 4-(4-methoxyphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 57328342) is 4-(4-methoxyphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 4-(4-methoxyphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is COc1ccc(-c2cc(C(=O)O)nc3c2c(-c2cccnc2)nn3-c2ccccc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is DFIIRLCESYNSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O3/c1-32-19-11-9-16(10-12-19)20-14-21(25(30)31)27-24-22(20)23(17-6-5-13-26-15-17)28-29(24)18-7-3-2-4-8-18/h2-15H,1H3,(H,30,31).
What are the key properties of 4-(4-methoxyphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
4-(4-methoxyphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 422.44 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-phenyl-3-pyridin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 57328342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).