N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

C22H20ClN5O4S — CID 39005047

IUPACN-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c2c(=O)[nH]n(C)c2n1
InChIInChI=1S/C22H20ClN5O4S/c1-12-4-7-16(11-18(12)33(31,32)27-15-8-5-14(23)6-9-15)25-21(29)17-10-13(2)24-20-19(17)22(30)26-28(20)3/h4-11,27H,1-3H3,(H,25,29)(H,26,30)
InChIKeyNBRQSZKDIZLJRK-UHFFFAOYSA-N
MW485.95 g/mol
LogP3.58
Rot. Bonds5

About N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 39005047) has the molecular formula C22H20ClN5O4S and a molecular weight of 485.95 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID39005047
Molecular FormulaC22H20ClN5O4S
Molecular Weight485.95 g/mol
Exact Mass485.09
IUPAC NameN-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c2c(=O)[nH]n(C)c2n1
InChIInChI=1S/C22H20ClN5O4S/c1-12-4-7-16(11-18(12)33(31,32)27-15-8-5-14(23)6-9-15)25-21(29)17-10-13(2)24-20-19(17)22(30)26-28(20)3/h4-11,27H,1-3H3,(H,25,29)(H,26,30)
InChIKeyNBRQSZKDIZLJRK-UHFFFAOYSA-N
XLogP3.58
TPSA125.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.95
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (CID 39005047) is N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c2c(=O)[nH]n(C)c2n1.
What is the InChIKey of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is NBRQSZKDIZLJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O4S/c1-12-4-7-16(11-18(12)33(31,32)27-15-8-5-14(23)6-9-15)25-21(29)17-10-13(2)24-20-19(17)22(30)26-28(20)3/h4-11,27H,1-3H3,(H,25,29)(H,26,30).
What are the key properties of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 485.95 g/mol, XLogP of 3.58, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-1,6-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 39005047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).