4-(4-methoxyanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid

C20H16N4O3 — CID 44561771

IUPAC4-(4-methoxyanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCOc1ccc(Nc2c(C(=O)O)cnc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C20H16N4O3/c1-27-15-9-7-13(8-10-15)23-18-16-12-22-24(14-5-3-2-4-6-14)19(16)21-11-17(18)20(25)26/h2-12H,1H3,(H,21,23)(H,25,26)
InChIKeyZSMCLYHFZCTDNX-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.87
Rot. Bonds5

About 4-(4-methoxyanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid

4-(4-methoxyanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid (PubChem CID 44561771) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 4-(4-methoxyanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-methoxyanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid
PubChem CID44561771
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name4-(4-methoxyanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid
SMILESCOc1ccc(Nc2c(C(=O)O)cnc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C20H16N4O3/c1-27-15-9-7-13(8-10-15)23-18-16-12-22-24(14-5-3-2-4-6-14)19(16)21-11-17(18)20(25)26/h2-12H,1H3,(H,21,23)(H,25,26)
InChIKeyZSMCLYHFZCTDNX-UHFFFAOYSA-N
XLogP3.87
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-Dimethyl-1-pyrazolyl)-4-(4-hydroxyanilino)-5-pyrimidinecarboxylic acid ethyl ester
CID 1968565
Ethyl 4-(4-hydroxyanilino)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 11406597
Ethyl 4-(4-hydroxyanilino)-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 11476465
5-(2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CID 67774030
4-[(1E)-{2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]phenol
CID 90791319
N-[2-(dimethylamino)ethyl]-4-[(1E)-{2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]benzamide
CID 91299904
N-{4-[(1E)-{2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]phenyl}acetamide
CID 91461367
1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 866545
ethyl 4-[(4-methoxybenzyl)amino]-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 1481686
{4-[(4-methoxybenzyl)amino]-1-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl}methanol
CID 1485411
1-benzyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 656061
Ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(4-methoxyanilino)pyrimidine-5-carboxylate
CID 3771443

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 4-(4-methoxyanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid (CID 44561771) is 4-(4-methoxyanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 4-(4-methoxyanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 4-(4-methoxyanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid is COc1ccc(Nc2c(C(=O)O)cnc3c2cnn3-c2ccccc2)cc1.
What is the InChIKey of 4-(4-methoxyanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
The InChIKey is ZSMCLYHFZCTDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-27-15-9-7-13(8-10-15)23-18-16-12-22-24(14-5-3-2-4-6-14)19(16)21-11-17(18)20(25)26/h2-12H,1H3,(H,21,23)(H,25,26).
What are the key properties of 4-(4-methoxyanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid?
4-(4-methoxyanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid has a molecular weight of 360.37 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyanilino)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 44561771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).