N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methylphenyl]methanesulfonamide

C20H24FN3O5S2 — CID 178185134

IUPACN-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methylphenyl]methanesulfonamide
SMILESCOc1cc2ncc(-c3cc(F)c(C)c(NS(C)(=O)=O)c3)n2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C20H24FN3O5S2/c1-12-14(21)7-13(8-15(12)23-30(6,25)26)16-10-22-19-9-17(29-5)18(11-24(16)19)31(27,28)20(2,3)4/h7-11,23H,1-6H3
InChIKeyCOHMCFGRKMVSAK-UHFFFAOYSA-N
MW469.56 g/mol
LogP3.40
Rot. Bonds5

About N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methylphenyl]methanesulfonamide

N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methylphenyl]methanesulfonamide (PubChem CID 178185134) has the molecular formula C20H24FN3O5S2 and a molecular weight of 469.56 g/mol. Its IUPAC name is N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methylphenyl]methanesulfonamide
PubChem CID178185134
Molecular FormulaC20H24FN3O5S2
Molecular Weight469.56 g/mol
Exact Mass469.11
IUPAC NameN-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methylphenyl]methanesulfonamide
SMILESCOc1cc2ncc(-c3cc(F)c(C)c(NS(C)(=O)=O)c3)n2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C20H24FN3O5S2/c1-12-14(21)7-13(8-15(12)23-30(6,25)26)16-10-22-19-9-17(29-5)18(11-24(16)19)31(27,28)20(2,3)4/h7-11,23H,1-6H3
InChIKeyCOHMCFGRKMVSAK-UHFFFAOYSA-N
XLogP3.40
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-methoxy-3-methylanilino]propan-1-ol
CID 170434857
N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-2-oxo-1H-pyrimidine-5-sulfonamide
CID 178094096
6-tert-butylsulfonyl-3-(3-fluoro-4-methoxy-5-pyrimidin-5-ylphenyl)-7-methoxyimidazo[1,2-a]pyridine
CID 172631531
6-tert-butylsulfonyl-7-methoxy-3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridine
CID 170616516
N-[5-[6-tert-butylsulfonyl-7-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide
CID 178094039
N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-methoxy-2-methylphenyl]-N-methylpropane-1-sulfonamide
CID 170434746
5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N,N-dimethylpyridin-2-amine
CID 170616418
6-tert-butylsulfonyl-7-methoxy-3-[3-(sulfinoamino)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
CID 170616439
6-tert-butylsulfonyl-7-methoxy-3-[3-(sulfinatoamino)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
CID 170616438
N-[5-[6-tert-butylsulfonyl-7-[(2R)-2-hydroxypropoxy]imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]-1-methylpyrazole-4-sulfonamide
CID 178093964
3-[3-[1-(azetidin-3-yl)pyrazol-4-yl]-5-fluoro-4-methoxyphenyl]-6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridine
CID 172631546
3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-2-fluoroaniline
CID 172631556

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methylphenyl]methanesulfonamide?
The IUPAC name of N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methylphenyl]methanesulfonamide (CID 178185134) is N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methylphenyl]methanesulfonamide is COc1cc2ncc(-c3cc(F)c(C)c(NS(C)(=O)=O)c3)n2cc1S(=O)(=O)C(C)(C)C.
What is the InChIKey of N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methylphenyl]methanesulfonamide?
The InChIKey is COHMCFGRKMVSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O5S2/c1-12-14(21)7-13(8-15(12)23-30(6,25)26)16-10-22-19-9-17(29-5)18(11-24(16)19)31(27,28)20(2,3)4/h7-11,23H,1-6H3.
What are the key properties of N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methylphenyl]methanesulfonamide?
N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methylphenyl]methanesulfonamide has a molecular weight of 469.56 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 178185134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).