3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]sulfonyl-1,1-dimethylurea

C22H19FN4O3S — CID 68595157

IUPAC3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]sulfonyl-1,1-dimethylurea
SMILESCN(C)C(=O)NS(=O)(=O)c1cccc(-c2cnc3cc(-c4ccc(F)cc4)ccn23)c1
InChIInChI=1S/C22H19FN4O3S/c1-26(2)22(28)25-31(29,30)19-5-3-4-17(12-19)20-14-24-21-13-16(10-11-27(20)21)15-6-8-18(23)9-7-15/h3-14H,1-2H3,(H,25,28)
InChIKeyPARDGOVDWUUGCN-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.77
Rot. Bonds4

About 3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]sulfonyl-1,1-dimethylurea

3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]sulfonyl-1,1-dimethylurea (PubChem CID 68595157) has the molecular formula C22H19FN4O3S and a molecular weight of 438.48 g/mol. Its IUPAC name is 3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]sulfonyl-1,1-dimethylurea.

Molecular Properties

Compound Name3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]sulfonyl-1,1-dimethylurea
PubChem CID68595157
Molecular FormulaC22H19FN4O3S
Molecular Weight438.48 g/mol
Exact Mass438.12
IUPAC Name3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]sulfonyl-1,1-dimethylurea
SMILESCN(C)C(=O)NS(=O)(=O)c1cccc(-c2cnc3cc(-c4ccc(F)cc4)ccn23)c1
InChIInChI=1S/C22H19FN4O3S/c1-26(2)22(28)25-31(29,30)19-5-3-4-17(12-19)20-14-24-21-13-16(10-11-27(20)21)15-6-8-18(23)9-7-15/h3-14H,1-2H3,(H,25,28)
InChIKeyPARDGOVDWUUGCN-UHFFFAOYSA-N
XLogP3.77
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid
CID 91112338
methyl 2-[4-[3-[3-[2-(4-fluorophenyl)ethyl]phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpropanoate
CID 143707078
N-ethyl-3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline;3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline
CID 161390343
[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pyridin-4-ylanilino] formate
CID 87543655
1-[2-fluoro-5-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321126
3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-thiadiazol-5-amine
CID 118431180
7-(4-fluorophenyl)-3-(1H-indol-6-yl)imidazo[1,2-a]pyridine
CID 59321013
3-(4-fluorophenyl)-7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridine
CID 56973461
7-(4-phenoxyphenyl)-3-phenylimidazo[1,2-a]pyridine
CID 56593403
3-phenyl-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 56593408
N-(3-acetylphenyl)-2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide
CID 68621927
1-[2-[3-[3-(methylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidin-5-yl]ethanone
CID 138548206

Frequently Asked Questions

What is the IUPAC name of 3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]sulfonyl-1,1-dimethylurea?
The IUPAC name of 3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]sulfonyl-1,1-dimethylurea (CID 68595157) is 3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]sulfonyl-1,1-dimethylurea.
What is the SMILES notation for 3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]sulfonyl-1,1-dimethylurea?
The canonical SMILES for 3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]sulfonyl-1,1-dimethylurea is CN(C)C(=O)NS(=O)(=O)c1cccc(-c2cnc3cc(-c4ccc(F)cc4)ccn23)c1.
What is the InChIKey of 3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]sulfonyl-1,1-dimethylurea?
The InChIKey is PARDGOVDWUUGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3S/c1-26(2)22(28)25-31(29,30)19-5-3-4-17(12-19)20-14-24-21-13-16(10-11-27(20)21)15-6-8-18(23)9-7-15/h3-14H,1-2H3,(H,25,28).
What are the key properties of 3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]sulfonyl-1,1-dimethylurea?
3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]sulfonyl-1,1-dimethylurea has a molecular weight of 438.48 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]sulfonyl-1,1-dimethylurea is sourced from PubChem (CID 68595157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).