2-fluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-5-(propylsulfonylamino)benzamide

C17H18FN5O4S — CID 56672169

IUPAC2-fluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-5-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1
InChIInChI=1S/C17H18FN5O4S/c1-3-6-28(25,26)23-10-4-5-14(18)12(7-10)16(24)20-11-8-13-15(19-9-11)21-22-17(13)27-2/h4-5,7-9,23H,3,6H2,1-2H3,(H,20,24)(H,19,21,22)
InChIKeySURIKHDRCNENPW-UHFFFAOYSA-N
MW407.43 g/mol
LogP2.51
Rot. Bonds7

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

2-fluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-5-(propylsulfonylamino)benzamide (PubChem CID 56672169) has the molecular formula C17H18FN5O4S and a molecular weight of 407.43 g/mol. Its IUPAC name is 2-fluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-5-(propylsulfonylamino)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-5-(propylsulfonylamino)benzamide
PubChem CID56672169
Molecular FormulaC17H18FN5O4S
Molecular Weight407.43 g/mol
Exact Mass407.11
IUPAC Name2-fluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-5-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1
InChIInChI=1S/C17H18FN5O4S/c1-3-6-28(25,26)23-10-4-5-14(18)12(7-10)16(24)20-11-8-13-15(19-9-11)21-22-17(13)27-2/h4-5,7-9,23H,3,6H2,1-2H3,(H,20,24)(H,19,21,22)
InChIKeySURIKHDRCNENPW-UHFFFAOYSA-N
XLogP2.51
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-5-(propylsulfonylamino)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-fluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-5-(propylsulfonylamino)benzamide?
The IUPAC name of 2-fluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-5-(propylsulfonylamino)benzamide (CID 56672169) is 2-fluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-5-(propylsulfonylamino)benzamide.
What is the SMILES notation for 2-fluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-5-(propylsulfonylamino)benzamide?
The canonical SMILES for 2-fluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-5-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1.
What is the InChIKey of 2-fluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-5-(propylsulfonylamino)benzamide?
The InChIKey is SURIKHDRCNENPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O4S/c1-3-6-28(25,26)23-10-4-5-14(18)12(7-10)16(24)20-11-8-13-15(19-9-11)21-22-17(13)27-2/h4-5,7-9,23H,3,6H2,1-2H3,(H,20,24)(H,19,21,22).
What are the key properties of 2-fluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-5-(propylsulfonylamino)benzamide?
2-fluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-5-(propylsulfonylamino)benzamide has a molecular weight of 407.43 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-5-(propylsulfonylamino)benzamide is sourced from PubChem (CID 56672169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).