3-[6-[2-fluoro-4-(3-sulfamoyl-4-pyridinyl)phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide

C24H17FN6O4S — CID 18753727

IUPAC3-[6-[2-fluoro-4-(3-sulfamoyl-4-pyridinyl)phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide
SMILESNC(=O)c1cccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccncc4S(N)(=O)=O)cc2F)N=C3)c1
InChIInChI=1S/C24H17FN6O4S/c25-18-9-13(16-6-7-28-11-20(16)36(27,34)35)4-5-17(18)21-23(32)22-19(10-29-21)30-12-31(22)15-3-1-2-14(8-15)24(26)33/h1-12,21H,(H2,26,33)(H2,27,34,35)
InChIKeyMXPKHERCEKCXPU-UHFFFAOYSA-N
MW504.50 g/mol
LogP2.18
Rot. Bonds5

About 3-[6-[2-fluoro-4-(3-sulfamoyl-4-pyridinyl)phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide

3-[6-[2-fluoro-4-(3-sulfamoyl-4-pyridinyl)phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide (PubChem CID 18753727) has the molecular formula C24H17FN6O4S and a molecular weight of 504.50 g/mol. Its IUPAC name is 3-[6-[2-fluoro-4-(3-sulfamoyl-4-pyridinyl)phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide.

Molecular Properties

Compound Name3-[6-[2-fluoro-4-(3-sulfamoyl-4-pyridinyl)phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide
PubChem CID18753727
Molecular FormulaC24H17FN6O4S
Molecular Weight504.50 g/mol
Exact Mass504.10
IUPAC Name3-[6-[2-fluoro-4-(3-sulfamoyl-4-pyridinyl)phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide
SMILESNC(=O)c1cccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccncc4S(N)(=O)=O)cc2F)N=C3)c1
InChIInChI=1S/C24H17FN6O4S/c25-18-9-13(16-6-7-28-11-20(16)36(27,34)35)4-5-17(18)21-23(32)22-19(10-29-21)30-12-31(22)15-3-1-2-14(8-15)24(26)33/h1-12,21H,(H2,26,33)(H2,27,34,35)
InChIKeyMXPKHERCEKCXPU-UHFFFAOYSA-N
XLogP2.18
TPSA163.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.50
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-fluoro-4-(3-sulfamoyl-4-pyridinyl)phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide?
The IUPAC name of 3-[6-[2-fluoro-4-(3-sulfamoyl-4-pyridinyl)phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide (CID 18753727) is 3-[6-[2-fluoro-4-(3-sulfamoyl-4-pyridinyl)phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide.
What is the SMILES notation for 3-[6-[2-fluoro-4-(3-sulfamoyl-4-pyridinyl)phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide?
The canonical SMILES for 3-[6-[2-fluoro-4-(3-sulfamoyl-4-pyridinyl)phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide is NC(=O)c1cccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccncc4S(N)(=O)=O)cc2F)N=C3)c1.
What is the InChIKey of 3-[6-[2-fluoro-4-(3-sulfamoyl-4-pyridinyl)phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide?
The InChIKey is MXPKHERCEKCXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN6O4S/c25-18-9-13(16-6-7-28-11-20(16)36(27,34)35)4-5-17(18)21-23(32)22-19(10-29-21)30-12-31(22)15-3-1-2-14(8-15)24(26)33/h1-12,21H,(H2,26,33)(H2,27,34,35).
What are the key properties of 3-[6-[2-fluoro-4-(3-sulfamoyl-4-pyridinyl)phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide?
3-[6-[2-fluoro-4-(3-sulfamoyl-4-pyridinyl)phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide has a molecular weight of 504.50 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-fluoro-4-(3-sulfamoyl-4-pyridinyl)phenyl]-7-oxo-6H-imidazo[4,5-c]pyridin-1-yl]benzamide is sourced from PubChem (CID 18753727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).