6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide

C22H16Cl2N8O3S — CID 166626639

IUPAC6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(NCc1ncn[nH]1)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12
InChIInChI=1S/C22H16Cl2N8O3S/c23-16-2-1-3-18(20(16)24)36(34,35)32-13-6-4-12(5-7-13)17-8-14(15-9-27-31-21(15)29-17)22(33)25-10-19-26-11-28-30-19/h1-9,11,32H,10H2,(H,25,33)(H,26,28,30)(H,27,29,31)
InChIKeyIWRKWNOQFFAQLD-UHFFFAOYSA-N
MW543.40 g/mol
LogP3.78
Rot. Bonds7

About 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide

6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 166626639) has the molecular formula C22H16Cl2N8O3S and a molecular weight of 543.40 g/mol. Its IUPAC name is 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID166626639
Molecular FormulaC22H16Cl2N8O3S
Molecular Weight543.40 g/mol
Exact Mass542.04
IUPAC Name6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(NCc1ncn[nH]1)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12
InChIInChI=1S/C22H16Cl2N8O3S/c23-16-2-1-3-18(20(16)24)36(34,35)32-13-6-4-12(5-7-13)17-8-14(15-9-27-31-21(15)29-17)22(33)25-10-19-26-11-28-30-19/h1-9,11,32H,10H2,(H,25,33)(H,26,28,30)(H,27,29,31)
InChIKeyIWRKWNOQFFAQLD-UHFFFAOYSA-N
XLogP3.78
TPSA158.41 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.40
LogP ≤ 53.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (CID 166626639) is 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is O=C(NCc1ncn[nH]1)c1cc(-c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)nc2[nH]ncc12.
What is the InChIKey of 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is IWRKWNOQFFAQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N8O3S/c23-16-2-1-3-18(20(16)24)36(34,35)32-13-6-4-12(5-7-13)17-8-14(15-9-27-31-21(15)29-17)22(33)25-10-19-26-11-28-30-19/h1-9,11,32H,10H2,(H,25,33)(H,26,28,30)(H,27,29,31).
What are the key properties of 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 543.40 g/mol, XLogP of 3.78, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 166626639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).