tert-butyl 2-[[2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]sulfamoyl]acetate

C28H27F4N5O4S — CID 162038560

IUPACtert-butyl 2-[[2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]sulfamoyl]acetate
SMILESCC(C)(C)OC(=O)CS(=O)(=O)Nc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C3CC3)nc3ccc(F)cn23)c1
InChIInChI=1S/C28H27F4N5O4S/c1-27(2,3)41-24(38)15-42(39,40)36-20-12-21(26-25(16-4-5-16)35-23-11-8-18(29)14-37(23)26)34-22(13-20)33-19-9-6-17(7-10-19)28(30,31)32/h6-14,16H,4-5,15H2,1-3H3,(H2,33,34,36)
InChIKeyFUCRXRPYZYKLBL-UHFFFAOYSA-N
MW605.61 g/mol
LogP6.26
Rot. Bonds8

About tert-butyl 2-[[2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]sulfamoyl]acetate

tert-butyl 2-[[2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]sulfamoyl]acetate (PubChem CID 162038560) has the molecular formula C28H27F4N5O4S and a molecular weight of 605.61 g/mol. Its IUPAC name is tert-butyl 2-[[2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]sulfamoyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]sulfamoyl]acetate
PubChem CID162038560
Molecular FormulaC28H27F4N5O4S
Molecular Weight605.61 g/mol
Exact Mass605.17
IUPAC Nametert-butyl 2-[[2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]sulfamoyl]acetate
SMILESCC(C)(C)OC(=O)CS(=O)(=O)Nc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C3CC3)nc3ccc(F)cn23)c1
InChIInChI=1S/C28H27F4N5O4S/c1-27(2,3)41-24(38)15-42(39,40)36-20-12-21(26-25(16-4-5-16)35-23-11-8-18(29)14-37(23)26)34-22(13-20)33-19-9-6-17(7-10-19)28(30,31)32/h6-14,16H,4-5,15H2,1-3H3,(H2,33,34,36)
InChIKeyFUCRXRPYZYKLBL-UHFFFAOYSA-N
XLogP6.26
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.61
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl 2-[[2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]sulfamoyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[3-[2-(Cyclopropylmethylamino)pyrimidin-4-yl]-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl]-2-fluorophenyl]methanesulfonamide
CID 137348299
N-[2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]ethyl]methanesulfonamide
CID 44431997
3-Piperidin-1-yl-propane-1-sulfonic acid [4-(8-methyl-imidazo[1,2-a]pyridin-2-yl)-phenyl]-amide
CID 10136423
N-[[5-(3-Cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]methyl]ethanesulfonamide
CID 71535682
bis(2,2,2-trifluoroacetic acid);(11R,12R)-11-(2,4,5-trifluorophenyl)-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-12-amine
CID 44555845
bis(2,2,2-trifluoroacetic acid);(11R,12R)-11-(2,4,5-trifluorophenyl)-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-12-amine
CID 49797635
(11R,12R)-4-methyl-11-(2,4,5-trifluorophenyl)-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-12-amine;bis(2,2,2-trifluoroacetic acid)
CID 49797651
1-cyclopropyl-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]methanesulfonamide
CID 127046446
1-[3-[7-[5-Fluoro-4-(methanesulfonamido)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 68169801
US9670204, 187 2-ethyl-N-(4-(4-fluorophenyl)pyrimidin-2-yl)-N-methyl-6-(1-(methylsulfonyl)-1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-amine
CID 90420988
N-[4-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]phenyl]methanesulfonamide
CID 124189991
US11649237, Example 189
CID 137524986

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]sulfamoyl]acetate?
The IUPAC name of tert-butyl 2-[[2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]sulfamoyl]acetate (CID 162038560) is tert-butyl 2-[[2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]sulfamoyl]acetate.
What is the SMILES notation for tert-butyl 2-[[2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]sulfamoyl]acetate?
The canonical SMILES for tert-butyl 2-[[2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]sulfamoyl]acetate is CC(C)(C)OC(=O)CS(=O)(=O)Nc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C3CC3)nc3ccc(F)cn23)c1.
What is the InChIKey of tert-butyl 2-[[2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]sulfamoyl]acetate?
The InChIKey is FUCRXRPYZYKLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F4N5O4S/c1-27(2,3)41-24(38)15-42(39,40)36-20-12-21(26-25(16-4-5-16)35-23-11-8-18(29)14-37(23)26)34-22(13-20)33-19-9-6-17(7-10-19)28(30,31)32/h6-14,16H,4-5,15H2,1-3H3,(H2,33,34,36).
What are the key properties of tert-butyl 2-[[2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]sulfamoyl]acetate?
tert-butyl 2-[[2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]sulfamoyl]acetate has a molecular weight of 605.61 g/mol, XLogP of 6.26, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[2-(2-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]sulfamoyl]acetate is sourced from PubChem (CID 162038560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).