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

C19H14F2N6O4S — CID 56665258

IUPAC2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(pyridin-3-ylsulfonylamino)benzamide
SMILESCOc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4cccnc4)c3F)cc12
InChIInChI=1S/C19H14F2N6O4S/c1-31-19-12-7-10(8-23-17(12)25-26-19)24-18(28)15-13(20)4-5-14(16(15)21)27-32(29,30)11-3-2-6-22-9-11/h2-9,27H,1H3,(H,24,28)(H,23,25,26)
InChIKeyRFFBBSPIWJVBLR-UHFFFAOYSA-N
MW460.42 g/mol
LogP2.69
Rot. Bonds6

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

2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(pyridin-3-ylsulfonylamino)benzamide (PubChem CID 56665258) has the molecular formula C19H14F2N6O4S and a molecular weight of 460.42 g/mol. Its IUPAC name is 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(pyridin-3-ylsulfonylamino)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(pyridin-3-ylsulfonylamino)benzamide
PubChem CID56665258
Molecular FormulaC19H14F2N6O4S
Molecular Weight460.42 g/mol
Exact Mass460.08
IUPAC Name2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(pyridin-3-ylsulfonylamino)benzamide
SMILESCOc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4cccnc4)c3F)cc12
InChIInChI=1S/C19H14F2N6O4S/c1-31-19-12-7-10(8-23-17(12)25-26-19)24-18(28)15-13(20)4-5-14(16(15)21)27-32(29,30)11-3-2-6-22-9-11/h2-9,27H,1H3,(H,24,28)(H,23,25,26)
InChIKeyRFFBBSPIWJVBLR-UHFFFAOYSA-N
XLogP2.69
TPSA138.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.42
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(pyridin-3-ylsulfonylamino)benzamide?
The IUPAC name of 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(pyridin-3-ylsulfonylamino)benzamide (CID 56665258) is 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(pyridin-3-ylsulfonylamino)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(pyridin-3-ylsulfonylamino)benzamide?
The canonical SMILES for 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(pyridin-3-ylsulfonylamino)benzamide is COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NS(=O)(=O)c4cccnc4)c3F)cc12.
What is the InChIKey of 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(pyridin-3-ylsulfonylamino)benzamide?
The InChIKey is RFFBBSPIWJVBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N6O4S/c1-31-19-12-7-10(8-23-17(12)25-26-19)24-18(28)15-13(20)4-5-14(16(15)21)27-32(29,30)11-3-2-6-22-9-11/h2-9,27H,1H3,(H,24,28)(H,23,25,26).
What are the key properties of 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(pyridin-3-ylsulfonylamino)benzamide?
2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(pyridin-3-ylsulfonylamino)benzamide has a molecular weight of 460.42 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-(pyridin-3-ylsulfonylamino)benzamide is sourced from PubChem (CID 56665258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).