6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide

C26H20FN5O3S — CID 90095047

IUPAC6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cc(-c2ncccc2-c2ccc3ncc(C(=O)Nc4cccc(S(N)(=O)=O)c4)n3c2)ccc1F
InChIInChI=1S/C26H20FN5O3S/c1-16-12-17(7-9-22(16)27)25-21(6-3-11-29-25)18-8-10-24-30-14-23(32(24)15-18)26(33)31-19-4-2-5-20(13-19)36(28,34)35/h2-15H,1H3,(H,31,33)(H2,28,34,35)
InChIKeyPOBZKAYHCOWYKG-UHFFFAOYSA-N
MW501.54 g/mol
LogP4.41
Rot. Bonds5

About 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide

6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90095047) has the molecular formula C26H20FN5O3S and a molecular weight of 501.54 g/mol. Its IUPAC name is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90095047
Molecular FormulaC26H20FN5O3S
Molecular Weight501.54 g/mol
Exact Mass501.13
IUPAC Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cc(-c2ncccc2-c2ccc3ncc(C(=O)Nc4cccc(S(N)(=O)=O)c4)n3c2)ccc1F
InChIInChI=1S/C26H20FN5O3S/c1-16-12-17(7-9-22(16)27)25-21(6-3-11-29-25)18-8-10-24-30-14-23(32(24)15-18)26(33)31-19-4-2-5-20(13-19)36(28,34)35/h2-15H,1H3,(H,31,33)(H2,28,34,35)
InChIKeyPOBZKAYHCOWYKG-UHFFFAOYSA-N
XLogP4.41
TPSA119.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.54
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 90095047) is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)Nc4cccc(S(N)(=O)=O)c4)n3c2)ccc1F.
What is the InChIKey of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is POBZKAYHCOWYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5O3S/c1-16-12-17(7-9-22(16)27)25-21(6-3-11-29-25)18-8-10-24-30-14-23(32(24)15-18)26(33)31-19-4-2-5-20(13-19)36(28,34)35/h2-15H,1H3,(H,31,33)(H2,28,34,35).
What are the key properties of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide?
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 501.54 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(3-sulfamoylphenyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90095047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).