4-fluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide

C20H16FN5O2S — CID 70663673

IUPAC4-fluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide
SMILESCN(N=Cc1cnc2ccc(-c3cccnc3)cn12)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H16FN5O2S/c1-25(29(27,28)19-7-5-17(21)6-8-19)24-13-18-12-23-20-9-4-16(14-26(18)20)15-3-2-10-22-11-15/h2-14H,1H3
InChIKeyWWJOMFLEGYJQMU-UHFFFAOYSA-N
MW409.45 g/mol
LogP3.19
Rot. Bonds5

About 4-fluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide

4-fluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide (PubChem CID 70663673) has the molecular formula C20H16FN5O2S and a molecular weight of 409.45 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide
PubChem CID70663673
Molecular FormulaC20H16FN5O2S
Molecular Weight409.45 g/mol
Exact Mass409.10
IUPAC Name4-fluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide
SMILESCN(N=Cc1cnc2ccc(-c3cccnc3)cn12)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C20H16FN5O2S/c1-25(29(27,28)19-7-5-17(21)6-8-19)24-13-18-12-23-20-9-4-16(14-26(18)20)15-3-2-10-22-11-15/h2-14H,1H3
InChIKeyWWJOMFLEGYJQMU-UHFFFAOYSA-N
XLogP3.19
TPSA79.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Zolimidine
CID 14652
DB-02197
CID 5288527
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
N-(2-(dimethylamino)ethyl)-4-((4-(imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-yl)amino)benzene-1-sulfonamide
CID 6539027
N-[5-[3-[2-(Cyclopropylmethylamino)pyrimidin-4-yl]-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl]-2-fluorophenyl]methanesulfonamide
CID 137348299
7-Phenyl-3-(pyridin-4-yl)imidazo[1,2-a]pyridine
CID 5329340
Imidazopyridine 10b
CID 5329341
Imidazopyridine 12d
CID 5329350
4-[(4-{2-Methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)amino]benzene-1-sulfonamide
CID 6539011
Sulfonamide deriv. 3a
CID 6539024
Sulfonamide deriv. 3e
CID 6539028
Imidazopyridine derivative, 8g
CID 10271535

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide (CID 70663673) is 4-fluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide is CN(N=Cc1cnc2ccc(-c3cccnc3)cn12)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide?
The InChIKey is WWJOMFLEGYJQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2S/c1-25(29(27,28)19-7-5-17(21)6-8-19)24-13-18-12-23-20-9-4-16(14-26(18)20)15-3-2-10-22-11-15/h2-14H,1H3.
What are the key properties of 4-fluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide?
4-fluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide has a molecular weight of 409.45 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 70663673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).