N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-N-[[3-(fluoromethyl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide

C24H19ClFN5O2S — CID 90090775

IUPACN-(3-chloroimidazo[1,2-a]pyridin-2-yl)-N-[[3-(fluoromethyl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(c1ccc(-n2cccn2)cc1)N(Cc1cccc(CF)c1)c1nc2ccccn2c1Cl
InChIInChI=1S/C24H19ClFN5O2S/c25-23-24(28-22-7-1-2-13-29(22)23)31(17-19-6-3-5-18(15-19)16-26)34(32,33)21-10-8-20(9-11-21)30-14-4-12-27-30/h1-15H,16-17H2
InChIKeyRMDLCYCMEMLNDZ-UHFFFAOYSA-N
MW495.97 g/mol
LogP5.04
Rot. Bonds7

About N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-N-[[3-(fluoromethyl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide

N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-N-[[3-(fluoromethyl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 90090775) has the molecular formula C24H19ClFN5O2S and a molecular weight of 495.97 g/mol. Its IUPAC name is N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-N-[[3-(fluoromethyl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloroimidazo[1,2-a]pyridin-2-yl)-N-[[3-(fluoromethyl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID90090775
Molecular FormulaC24H19ClFN5O2S
Molecular Weight495.97 g/mol
Exact Mass495.09
IUPAC NameN-(3-chloroimidazo[1,2-a]pyridin-2-yl)-N-[[3-(fluoromethyl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(c1ccc(-n2cccn2)cc1)N(Cc1cccc(CF)c1)c1nc2ccccn2c1Cl
InChIInChI=1S/C24H19ClFN5O2S/c25-23-24(28-22-7-1-2-13-29(22)23)31(17-19-6-3-5-18(15-19)16-26)34(32,33)21-10-8-20(9-11-21)30-14-4-12-27-30/h1-15H,16-17H2
InChIKeyRMDLCYCMEMLNDZ-UHFFFAOYSA-N
XLogP5.04
TPSA72.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.97
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-pyrazol-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 67966891
N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-4-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 67966872
N-(3-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-6-pyrazol-1-ylpyridine-3-sulfonamide
CID 57377844
N-[[4-fluoro-3-(fluoromethyl)phenyl]methyl]-N-imidazo[1,2-a]pyridin-2-ylbenzenesulfonamide
CID 90090765
tert-butyl 2-[3-[[(4-methoxyphenyl)sulfonyl-[(4-pyrazol-1-ylphenyl)methyl]amino]methyl]phenoxy]acetate
CID 54050438
bis((4-pyrazol-1-ylphenyl)methanamine);sulfuric acid
CID 163337704
3-(bromomethyl)-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-a]pyridin-2-amine
CID 107080940
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-(3-pyrazol-1-ylphenyl)methanesulfonamide
CID 165423526
2-[(3-fluorophenyl)methyl-methylamino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477821
1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 46997406
3-chloro-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide
CID 31913171
N-benzyl-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 46021763

Frequently Asked Questions

What is the IUPAC name of N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-N-[[3-(fluoromethyl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-N-[[3-(fluoromethyl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide (CID 90090775) is N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-N-[[3-(fluoromethyl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-N-[[3-(fluoromethyl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-N-[[3-(fluoromethyl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide is O=S(=O)(c1ccc(-n2cccn2)cc1)N(Cc1cccc(CF)c1)c1nc2ccccn2c1Cl.
What is the InChIKey of N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-N-[[3-(fluoromethyl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is RMDLCYCMEMLNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN5O2S/c25-23-24(28-22-7-1-2-13-29(22)23)31(17-19-6-3-5-18(15-19)16-26)34(32,33)21-10-8-20(9-11-21)30-14-4-12-27-30/h1-15H,16-17H2.
What are the key properties of N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-N-[[3-(fluoromethyl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide?
N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-N-[[3-(fluoromethyl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 495.97 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloroimidazo[1,2-a]pyridin-2-yl)-N-[[3-(fluoromethyl)phenyl]methyl]-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 90090775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).