6-[4-[[2-chloro-4-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-N-methyl-1H-pyrazolo[5,4-b]pyridine-4-carboxamide

C21H15ClF3N5O3S — CID 59766653

IUPAC6-[4-[[2-chloro-4-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-N-methyl-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3Cl)cc2)nc2[nH]ncc12
InChIInChI=1S/C21H15ClF3N5O3S/c1-26-20(31)14-9-17(28-19-15(14)10-27-29-19)11-2-5-13(6-3-11)30-34(32,33)18-7-4-12(8-16(18)22)21(23,24)25/h2-10,30H,1H3,(H,26,31)(H,27,28,29)
InChIKeyPMRWGGSQGJZUAK-UHFFFAOYSA-N
MW509.90 g/mol
LogP4.46
Rot. Bonds5

About 6-[4-[[2-chloro-4-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-N-methyl-1H-pyrazolo[5,4-b]pyridine-4-carboxamide

6-[4-[[2-chloro-4-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-N-methyl-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 59766653) has the molecular formula C21H15ClF3N5O3S and a molecular weight of 509.90 g/mol. Its IUPAC name is 6-[4-[[2-chloro-4-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-N-methyl-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-[4-[[2-chloro-4-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-N-methyl-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID59766653
Molecular FormulaC21H15ClF3N5O3S
Molecular Weight509.90 g/mol
Exact Mass509.05
IUPAC Name6-[4-[[2-chloro-4-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-N-methyl-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3Cl)cc2)nc2[nH]ncc12
InChIInChI=1S/C21H15ClF3N5O3S/c1-26-20(31)14-9-17(28-19-15(14)10-27-29-19)11-2-5-13(6-3-11)30-34(32,33)18-7-4-12(8-16(18)22)21(23,24)25/h2-10,30H,1H3,(H,26,31)(H,27,28,29)
InChIKeyPMRWGGSQGJZUAK-UHFFFAOYSA-N
XLogP4.46
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.90
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[[2-chloro-4-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-N-methyl-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-[4-[[2-chloro-4-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-N-methyl-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (CID 59766653) is 6-[4-[[2-chloro-4-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-N-methyl-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-[4-[[2-chloro-4-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-N-methyl-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-[4-[[2-chloro-4-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-N-methyl-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is CNC(=O)c1cc(-c2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3Cl)cc2)nc2[nH]ncc12.
What is the InChIKey of 6-[4-[[2-chloro-4-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-N-methyl-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is PMRWGGSQGJZUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N5O3S/c1-26-20(31)14-9-17(28-19-15(14)10-27-29-19)11-2-5-13(6-3-11)30-34(32,33)18-7-4-12(8-16(18)22)21(23,24)25/h2-10,30H,1H3,(H,26,31)(H,27,28,29).
What are the key properties of 6-[4-[[2-chloro-4-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-N-methyl-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
6-[4-[[2-chloro-4-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-N-methyl-1H-pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 509.90 g/mol, XLogP of 4.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[2-chloro-4-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-N-methyl-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 59766653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).