6-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-2-carboxylic acid

C31H23N5O4 — CID 137277917

IUPAC6-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-2-carboxylic acid
SMILESCOc1ccc(-c2c(Nc3cccc(C(=O)O)n3)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1
InChIInChI=1S/C31H23N5O4/c1-40-22-17-15-20(16-18-22)26-28(33-24-14-8-13-23(32-24)31(38)39)34-29-25(19-9-4-2-5-10-19)27(35-36(29)30(26)37)21-11-6-3-7-12-21/h2-18,34H,1H3,(H,32,33)(H,38,39)
InChIKeyXWFUYQONFZROAY-UHFFFAOYSA-N
MW529.56 g/mol
LogP5.87
Rot. Bonds7

About 6-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-2-carboxylic acid

6-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-2-carboxylic acid (PubChem CID 137277917) has the molecular formula C31H23N5O4 and a molecular weight of 529.56 g/mol. Its IUPAC name is 6-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-2-carboxylic acid
PubChem CID137277917
Molecular FormulaC31H23N5O4
Molecular Weight529.56 g/mol
Exact Mass529.18
IUPAC Name6-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-2-carboxylic acid
SMILESCOc1ccc(-c2c(Nc3cccc(C(=O)O)n3)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1
InChIInChI=1S/C31H23N5O4/c1-40-22-17-15-20(16-18-22)26-28(33-24-14-8-13-23(32-24)31(38)39)34-29-25(19-9-4-2-5-10-19)27(35-36(29)30(26)37)21-11-6-3-7-12-21/h2-18,34H,1H3,(H,32,33)(H,38,39)
InChIKeyXWFUYQONFZROAY-UHFFFAOYSA-N
XLogP5.87
TPSA121.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.56
LogP ≤ 55.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-methoxyanilino)pyridine-2-carboxylic acid
CID 55053217
6-(2,5-dimethoxyanilino)pyridine-2-carboxylic acid
CID 62254625
[3-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrazol-1-yl]methyl (2S)-2-amino-3-methyl-4-[6-[7-oxo-5-[[5-[2-[6-[7-oxo-2,3-diphenyl-5-(pyridin-2-ylamino)-4H-pyrazolo[1,5-a]pyrimidin-6-yl]-3,4-dihydro-2H-1,4-benzoxazin-8-yl]ethylcarbamoyl]-1,3,4-oxadiazol-2-yl]amino]-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-6-yl]quinolin-8-yl]butanoate
CID 166703740
N-[4-(4-methoxyphenyl)-6-oxo-2-phenyl-1H-pyrimidin-5-yl]acetamide
CID 136815025
[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
CID 135495721
6-[2-(4-methoxyphenoxy)propylamino]pyridine-2-carboxylic acid
CID 122048336
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
5-cyclobutylidene-4-(4-methoxyphenyl)-3-methyl-8,9-diphenyl-1H-pyrazolo[5,1-c][1,2,4]thiadiazepine
CID 134315474
5,7-ditert-butyl-3-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine
CID 11165871
5-chloro-7-methoxy-6-(4-methoxyphenyl)-2,3-diphenylpyrazolo[1,5-a]pyrimidine;ethane
CID 142295561
6-[[(E)-1-[(1-formyl-3,4-diphenylpyrazol-5-yl)amino]-2-(4-methoxyphenyl)prop-1-enyl]amino]pyridine-2-carboxamide
CID 134320230
4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole
CID 86068927

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-2-carboxylic acid (CID 137277917) is 6-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-2-carboxylic acid is COc1ccc(-c2c(Nc3cccc(C(=O)O)n3)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1.
What is the InChIKey of 6-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-2-carboxylic acid?
The InChIKey is XWFUYQONFZROAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N5O4/c1-40-22-17-15-20(16-18-22)26-28(33-24-14-8-13-23(32-24)31(38)39)34-29-25(19-9-4-2-5-10-19)27(35-36(29)30(26)37)21-11-6-3-7-12-21/h2-18,34H,1H3,(H,32,33)(H,38,39).
What are the key properties of 6-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-2-carboxylic acid?
6-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-2-carboxylic acid has a molecular weight of 529.56 g/mol, XLogP of 5.87, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 137277917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).