N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide

C20H15F2N5O3S — CID 139369611

IUPACN-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2[nH]nc3ncc(-c4ccncc4)cc23)c1F
InChIInChI=1S/C20H15F2N5O3S/c1-2-31(29,30)27-18-15(21)4-3-13(16(18)22)19(28)17-14-9-12(10-24-20(14)26-25-17)11-5-7-23-8-6-11/h3-10,27H,2H2,1H3,(H,24,25,26)
InChIKeyQSNHXNSFNQLSBY-UHFFFAOYSA-N
MW443.44 g/mol
LogP3.29
Rot. Bonds6

About N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide

N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide (PubChem CID 139369611) has the molecular formula C20H15F2N5O3S and a molecular weight of 443.44 g/mol. Its IUPAC name is N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide
PubChem CID139369611
Molecular FormulaC20H15F2N5O3S
Molecular Weight443.44 g/mol
Exact Mass443.09
IUPAC NameN-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2[nH]nc3ncc(-c4ccncc4)cc23)c1F
InChIInChI=1S/C20H15F2N5O3S/c1-2-31(29,30)27-18-15(21)4-3-13(16(18)22)19(28)17-14-9-12(10-24-20(14)26-25-17)11-5-7-23-8-6-11/h3-10,27H,2H2,1H3,(H,24,25,26)
InChIKeyQSNHXNSFNQLSBY-UHFFFAOYSA-N
XLogP3.29
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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2,6-difluoro-3-(propylsulfonamido)-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 44199425
2,6-difluoro-N-(3-propan-2-yl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide
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N-[3-(dimethylamino)-1H-pyrazolo[5,4-b]pyridin-5-yl]-2,6-difluoro-3-(propylsulfonylamino)benzamide
CID 44223205
2,6-difluoro-N-(3-iodo-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide
CID 44223207
N-(3-bromo-1H-pyrazolo[3,4-b]pyridin-5-yl)-2,6-difluoro-3-(propylsulfonamido)benzamide
CID 44223650
2,6-difluoro-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-(propylsulfonylamino)benzamide
CID 44223692
N-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2,6-difluoro-3-(propylsulfonylamino)benzamide
CID 44223693
N-(3-ethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2,6-difluoro-3-(propylsulfonylamino)benzamide
CID 44223890
2,6-difluoro-3-(propylsulfonylamino)-N-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide?
The IUPAC name of N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide (CID 139369611) is N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1c(F)ccc(C(=O)c2[nH]nc3ncc(-c4ccncc4)cc23)c1F.
What is the InChIKey of N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide?
The InChIKey is QSNHXNSFNQLSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O3S/c1-2-31(29,30)27-18-15(21)4-3-13(16(18)22)19(28)17-14-9-12(10-24-20(14)26-25-17)11-5-7-23-8-6-11/h3-10,27H,2H2,1H3,(H,24,25,26).
What are the key properties of N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide?
N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide has a molecular weight of 443.44 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-difluoro-3-(5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 139369611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).