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

C18H13F2N5O5S — CID 56675571

IUPAC2,6-difluoro-3-(furan-2-ylsulfonylamino)-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
SMILESCOc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4ccco4)c3F)cc12
InChIInChI=1S/C18H13F2N5O5S/c1-29-18-10-7-9(8-21-16(10)23-24-18)22-17(26)14-11(19)4-5-12(15(14)20)25-31(27,28)13-3-2-6-30-13/h2-8,25H,1H3,(H,22,26)(H,21,23,24)
InChIKeyFTZZIUBMNYIBNH-UHFFFAOYSA-N
MW449.40 g/mol
LogP2.89
Rot. Bonds6

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

2,6-difluoro-3-(furan-2-ylsulfonylamino)-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide (PubChem CID 56675571) has the molecular formula C18H13F2N5O5S and a molecular weight of 449.40 g/mol. Its IUPAC name is 2,6-difluoro-3-(furan-2-ylsulfonylamino)-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-(furan-2-ylsulfonylamino)-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
PubChem CID56675571
Molecular FormulaC18H13F2N5O5S
Molecular Weight449.40 g/mol
Exact Mass449.06
IUPAC Name2,6-difluoro-3-(furan-2-ylsulfonylamino)-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
SMILESCOc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4ccco4)c3F)cc12
InChIInChI=1S/C18H13F2N5O5S/c1-29-18-10-7-9(8-21-16(10)23-24-18)22-17(26)14-11(19)4-5-12(15(14)20)25-31(27,28)13-3-2-6-30-13/h2-8,25H,1H3,(H,22,26)(H,21,23,24)
InChIKeyFTZZIUBMNYIBNH-UHFFFAOYSA-N
XLogP2.89
TPSA139.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.40
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-(furan-2-ylsulfonylamino)-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The IUPAC name of 2,6-difluoro-3-(furan-2-ylsulfonylamino)-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide (CID 56675571) is 2,6-difluoro-3-(furan-2-ylsulfonylamino)-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-3-(furan-2-ylsulfonylamino)-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The canonical SMILES for 2,6-difluoro-3-(furan-2-ylsulfonylamino)-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide is COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4ccco4)c3F)cc12.
What is the InChIKey of 2,6-difluoro-3-(furan-2-ylsulfonylamino)-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The InChIKey is FTZZIUBMNYIBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O5S/c1-29-18-10-7-9(8-21-16(10)23-24-18)22-17(26)14-11(19)4-5-12(15(14)20)25-31(27,28)13-3-2-6-30-13/h2-8,25H,1H3,(H,22,26)(H,21,23,24).
What are the key properties of 2,6-difluoro-3-(furan-2-ylsulfonylamino)-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
2,6-difluoro-3-(furan-2-ylsulfonylamino)-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide has a molecular weight of 449.40 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-(furan-2-ylsulfonylamino)-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 56675571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).