3-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid

C30H27N3O6S — CID 139886675

IUPAC3-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(-c3c(C(=O)O)nn4ccccc34)cc2)cc1
InChIInChI=1S/C30H27N3O6S/c1-38-24-12-6-21(7-13-24)19-32(20-22-8-14-25(39-2)15-9-22)40(36,37)26-16-10-23(11-17-26)28-27-5-3-4-18-33(27)31-29(28)30(34)35/h3-18H,19-20H2,1-2H3,(H,34,35)
InChIKeyFTCFYUZLPYWLDN-UHFFFAOYSA-N
MW557.63 g/mol
LogP5.11
Rot. Bonds10

About 3-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid

3-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid (PubChem CID 139886675) has the molecular formula C30H27N3O6S and a molecular weight of 557.63 g/mol. Its IUPAC name is 3-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid
PubChem CID139886675
Molecular FormulaC30H27N3O6S
Molecular Weight557.63 g/mol
Exact Mass557.16
IUPAC Name3-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(-c3c(C(=O)O)nn4ccccc34)cc2)cc1
InChIInChI=1S/C30H27N3O6S/c1-38-24-12-6-21(7-13-24)19-32(20-22-8-14-25(39-2)15-9-22)40(36,37)26-16-10-23(11-17-26)28-27-5-3-4-18-33(27)31-29(28)30(34)35/h3-18H,19-20H2,1-2H3,(H,34,35)
InChIKeyFTCFYUZLPYWLDN-UHFFFAOYSA-N
XLogP5.11
TPSA110.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.63
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid?
The IUPAC name of 3-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid (CID 139886675) is 3-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid is COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(-c3c(C(=O)O)nn4ccccc34)cc2)cc1.
What is the InChIKey of 3-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid?
The InChIKey is FTCFYUZLPYWLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O6S/c1-38-24-12-6-21(7-13-24)19-32(20-22-8-14-25(39-2)15-9-22)40(36,37)26-16-10-23(11-17-26)28-27-5-3-4-18-33(27)31-29(28)30(34)35/h3-18H,19-20H2,1-2H3,(H,34,35).
What are the key properties of 3-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid?
3-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid has a molecular weight of 557.63 g/mol, XLogP of 5.11, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 139886675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).