3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide

C20H13F4N5O4S — CID 56678899

IUPAC3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
SMILESCOc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)cc12
InChIInChI=1S/C20H13F4N5O4S/c1-33-20-11-7-10(8-25-18(11)27-28-20)26-19(30)16-13(23)4-5-14(17(16)24)29-34(31,32)15-6-9(21)2-3-12(15)22/h2-8,29H,1H3,(H,26,30)(H,25,27,28)
InChIKeyLUIINEHQYPMXII-UHFFFAOYSA-N
MW495.41 g/mol
LogP3.58
Rot. Bonds6

About 3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide

3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide (PubChem CID 56678899) has the molecular formula C20H13F4N5O4S and a molecular weight of 495.41 g/mol. Its IUPAC name is 3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
PubChem CID56678899
Molecular FormulaC20H13F4N5O4S
Molecular Weight495.41 g/mol
Exact Mass495.06
IUPAC Name3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
SMILESCOc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)cc12
InChIInChI=1S/C20H13F4N5O4S/c1-33-20-11-7-10(8-25-18(11)27-28-20)26-19(30)16-13(23)4-5-14(17(16)24)29-34(31,32)15-6-9(21)2-3-12(15)22/h2-8,29H,1H3,(H,26,30)(H,25,27,28)
InChIKeyLUIINEHQYPMXII-UHFFFAOYSA-N
XLogP3.58
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.41
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The IUPAC name of 3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide (CID 56678899) is 3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The canonical SMILES for 3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide is COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4cc(F)ccc4F)c3F)cc12.
What is the InChIKey of 3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The InChIKey is LUIINEHQYPMXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N5O4S/c1-33-20-11-7-10(8-25-18(11)27-28-20)26-19(30)16-13(23)4-5-14(17(16)24)29-34(31,32)15-6-9(21)2-3-12(15)22/h2-8,29H,1H3,(H,26,30)(H,25,27,28).
What are the key properties of 3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide has a molecular weight of 495.41 g/mol, XLogP of 3.58, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-difluorophenyl)sulfonylamino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 56678899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).