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

C20H14F3N5O4S — CID 56675570

IUPAC2,6-difluoro-3-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
SMILESCOc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(F)cc4)c3F)cc12
InChIInChI=1S/C20H14F3N5O4S/c1-32-20-13-8-11(9-24-18(13)26-27-20)25-19(29)16-14(22)6-7-15(17(16)23)28-33(30,31)12-4-2-10(21)3-5-12/h2-9,28H,1H3,(H,25,29)(H,24,26,27)
InChIKeyYRRGNUPILQPWCK-UHFFFAOYSA-N
MW477.42 g/mol
LogP3.44
Rot. Bonds6

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

2,6-difluoro-3-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide (PubChem CID 56675570) has the molecular formula C20H14F3N5O4S and a molecular weight of 477.42 g/mol. Its IUPAC name is 2,6-difluoro-3-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
PubChem CID56675570
Molecular FormulaC20H14F3N5O4S
Molecular Weight477.42 g/mol
Exact Mass477.07
IUPAC Name2,6-difluoro-3-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
SMILESCOc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(F)cc4)c3F)cc12
InChIInChI=1S/C20H14F3N5O4S/c1-32-20-13-8-11(9-24-18(13)26-27-20)25-19(29)16-14(22)6-7-15(17(16)23)28-33(30,31)12-4-2-10(21)3-5-12/h2-9,28H,1H3,(H,25,29)(H,24,26,27)
InChIKeyYRRGNUPILQPWCK-UHFFFAOYSA-N
XLogP3.44
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.42
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The IUPAC name of 2,6-difluoro-3-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide (CID 56675570) is 2,6-difluoro-3-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-3-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The canonical SMILES for 2,6-difluoro-3-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide is COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4ccc(F)cc4)c3F)cc12.
What is the InChIKey of 2,6-difluoro-3-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The InChIKey is YRRGNUPILQPWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O4S/c1-32-20-13-8-11(9-24-18(13)26-27-20)25-19(29)16-14(22)6-7-15(17(16)23)28-33(30,31)12-4-2-10(21)3-5-12/h2-9,28H,1H3,(H,25,29)(H,24,26,27).
What are the key properties of 2,6-difluoro-3-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
2,6-difluoro-3-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide has a molecular weight of 477.42 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[(4-fluorophenyl)sulfonylamino]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 56675570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).