N-[5-[6-tert-butylsulfonyl-7-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide

C24H32FN3O6S2 — CID 178094039

IUPACN-[5-[6-tert-butylsulfonyl-7-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2cnc3cc(OCC(C)C)c(S(=O)(=O)C(C)(C)C)cn23)cc(F)c1OC
InChIInChI=1S/C24H32FN3O6S2/c1-8-35(29,30)27-18-10-16(9-17(25)23(18)33-7)19-12-26-22-11-20(34-14-15(2)3)21(13-28(19)22)36(31,32)24(4,5)6/h9-13,15,27H,8,14H2,1-7H3
InChIKeyQTODHAMZBSFNMF-UHFFFAOYSA-N
MW541.67 g/mol
LogP4.52
Rot. Bonds9

About N-[5-[6-tert-butylsulfonyl-7-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide

N-[5-[6-tert-butylsulfonyl-7-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide (PubChem CID 178094039) has the molecular formula C24H32FN3O6S2 and a molecular weight of 541.67 g/mol. Its IUPAC name is N-[5-[6-tert-butylsulfonyl-7-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-[6-tert-butylsulfonyl-7-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide
PubChem CID178094039
Molecular FormulaC24H32FN3O6S2
Molecular Weight541.67 g/mol
Exact Mass541.17
IUPAC NameN-[5-[6-tert-butylsulfonyl-7-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2cnc3cc(OCC(C)C)c(S(=O)(=O)C(C)(C)C)cn23)cc(F)c1OC
InChIInChI=1S/C24H32FN3O6S2/c1-8-35(29,30)27-18-10-16(9-17(25)23(18)33-7)19-12-26-22-11-20(34-14-15(2)3)21(13-28(19)22)36(31,32)24(4,5)6/h9-13,15,27H,8,14H2,1-7H3
InChIKeyQTODHAMZBSFNMF-UHFFFAOYSA-N
XLogP4.52
TPSA116.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.67
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
(2S)-1-[6-tert-butylsulfonyl-3-[3-[[ethylidene-[(2Z)-2-(methylhydrazinylidene)ethyl]-λ4-sulfanyl]amino]-5-fluoro-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]oxypropan-2-ol
CID 178094073
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
N-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methylphenyl]methanesulfonamide
CID 178185134
6-tert-butylsulfonyl-3-(3-fluoro-4-methoxy-5-pyrimidin-5-ylphenyl)-7-methoxyimidazo[1,2-a]pyridine
CID 172631531
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-butylsulfanyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-fluoro-2-methoxyphenyl]-3-methyl-1,2-thiazole-5-sulfonamide
CID 172631787
3-[3-[1-(azetidin-3-yl)pyrazol-4-yl]-5-fluoro-4-methoxyphenyl]-6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridine
CID 172631546
2-[4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-7-methoxyindazol-1-yl]ethanol
CID 172631901
6-tert-butylsulfonyl-7-methoxy-3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyridine
CID 170616516
N-[5-(2-aminopyrimidin-5-yl)-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide
CID 172631243
N-[5-[6-[(E)-ethylidene-(1-hydroxy-2-methylpropan-2-yl)-λ4-sulfanyl]-7-methoxyimidazo[1,2-a]pyridin-3-yl]-2,3-dimethoxyphenyl]propane-1-sulfonamide
CID 178094015

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-tert-butylsulfonyl-7-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide?
The IUPAC name of N-[5-[6-tert-butylsulfonyl-7-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide (CID 178094039) is N-[5-[6-tert-butylsulfonyl-7-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide.
What is the SMILES notation for N-[5-[6-tert-butylsulfonyl-7-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide?
The canonical SMILES for N-[5-[6-tert-butylsulfonyl-7-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cc(-c2cnc3cc(OCC(C)C)c(S(=O)(=O)C(C)(C)C)cn23)cc(F)c1OC.
What is the InChIKey of N-[5-[6-tert-butylsulfonyl-7-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide?
The InChIKey is QTODHAMZBSFNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O6S2/c1-8-35(29,30)27-18-10-16(9-17(25)23(18)33-7)19-12-26-22-11-20(34-14-15(2)3)21(13-28(19)22)36(31,32)24(4,5)6/h9-13,15,27H,8,14H2,1-7H3.
What are the key properties of N-[5-[6-tert-butylsulfonyl-7-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide?
N-[5-[6-tert-butylsulfonyl-7-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide has a molecular weight of 541.67 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-tert-butylsulfonyl-7-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]-3-fluoro-2-methoxyphenyl]ethanesulfonamide is sourced from PubChem (CID 178094039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).