N-[6-(4-methylphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzenesulfonamide

C19H18N4O3S — CID 71813682

IUPACN-[6-(4-methylphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzenesulfonamide
SMILESCc1ccc(N2CCc3c(NS(=O)(=O)c4ccccc4)n[nH]c3C2=O)cc1
InChIInChI=1S/C19H18N4O3S/c1-13-7-9-14(10-8-13)23-12-11-16-17(19(23)24)20-21-18(16)22-27(25,26)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H2,20,21,22)
InChIKeyMZTBHIKNZRLUGD-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.72
Rot. Bonds4

About N-[6-(4-methylphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzenesulfonamide

N-[6-(4-methylphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzenesulfonamide (PubChem CID 71813682) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is N-[6-(4-methylphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[6-(4-methylphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzenesulfonamide
PubChem CID71813682
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC NameN-[6-(4-methylphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzenesulfonamide
SMILESCc1ccc(N2CCc3c(NS(=O)(=O)c4ccccc4)n[nH]c3C2=O)cc1
InChIInChI=1S/C19H18N4O3S/c1-13-7-9-14(10-8-13)23-12-11-16-17(19(23)24)20-21-18(16)22-27(25,26)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H2,20,21,22)
InChIKeyMZTBHIKNZRLUGD-UHFFFAOYSA-N
XLogP2.72
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzenesulfonamide?
The IUPAC name of N-[6-(4-methylphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzenesulfonamide (CID 71813682) is N-[6-(4-methylphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[6-(4-methylphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[6-(4-methylphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzenesulfonamide is Cc1ccc(N2CCc3c(NS(=O)(=O)c4ccccc4)n[nH]c3C2=O)cc1.
What is the InChIKey of N-[6-(4-methylphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzenesulfonamide?
The InChIKey is MZTBHIKNZRLUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-13-7-9-14(10-8-13)23-12-11-16-17(19(23)24)20-21-18(16)22-27(25,26)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H2,20,21,22).
What are the key properties of N-[6-(4-methylphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzenesulfonamide?
N-[6-(4-methylphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzenesulfonamide has a molecular weight of 382.45 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylphenyl)-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzenesulfonamide is sourced from PubChem (CID 71813682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).