tris((3-ethyl-8-fluoroindolizin-5-yl)-(1H-imidazol-2-yl)methanol);(8-fluoro-3-methylindolizin-5-yl)-(1H-imidazol-2-yl)methanol;(8-fluoro-3-propan-2-ylindolizin-5-yl)-(1H-imidazol-2-yl)methanol;[4-fluoro-2-(1,3-thiazol-4-yl)phenyl]-(1H-imidazol-2-yl)methanol

C83H80F6N18O6S — CID 162201957

IUPACtris((3-ethyl-8-fluoroindolizin-5-yl)-(1H-imidazol-2-yl)methanol);(8-fluoro-3-methylindolizin-5-yl)-(1H-imidazol-2-yl)methanol;(8-fluoro-3-propan-2-ylindolizin-5-yl)-(1H-imidazol-2-yl)methanol;[4-fluoro-2-(1,3-thiazol-4-yl)phenyl]-(1H-imidazol-2-yl)methanol
SMILESCC(C)c1ccc2c(F)ccc(C(O)c3ncc[nH]3)n12.CCc1ccc2c(F)ccc(C(O)c3ncc[nH]3)n12.CCc1ccc2c(F)ccc(C(O)c3ncc[nH]3)n12.CCc1ccc2c(F)ccc(C(O)c3ncc[nH]3)n12.Cc1ccc2c(F)ccc(C(O)c3ncc[nH]3)n12.OC(c1ncc[nH]1)c1ccc(F)cc1-c1cscn1
InChIInChI=1S/C15H16FN3O.3C14H14FN3O.C13H10FN3OS.C13H12FN3O/c1-9(2)11-5-6-12-10(16)3-4-13(19(11)12)14(20)15-17-7-8-18-15;3*1-2-9-3-5-11-10(15)4-6-12(18(9)11)13(19)14-16-7-8-17-14;14-8-1-2-9(12(18)13-15-3-4-16-13)10(5-8)11-6-19-7-17-11;1-8-2-4-10-9(14)3-5-11(17(8)10)12(18)13-15-6-7-16-13/h3-9,14,20H,1-2H3,(H,17,18);3*3-8,13,19H,2H2,1H3,(H,16,17);1-7,12,18H,(H,15,16);2-7,12,18H,1H3,(H,15,16)
InChIKeyZRRYGDGMFOAARG-UHFFFAOYSA-N
MW1571.73 g/mol
LogP15.29
Rot. Bonds17

About tris((3-ethyl-8-fluoroindolizin-5-yl)-(1H-imidazol-2-yl)methanol);(8-fluoro-3-methylindolizin-5-yl)-(1H-imidazol-2-yl)methanol;(8-fluoro-3-propan-2-ylindolizin-5-yl)-(1H-imidazol-2-yl)methanol;[4-fluoro-2-(1,3-thiazol-4-yl)phenyl]-(1H-imidazol-2-yl)methanol

tris((3-ethyl-8-fluoroindolizin-5-yl)-(1H-imidazol-2-yl)methanol);(8-fluoro-3-methylindolizin-5-yl)-(1H-imidazol-2-yl)methanol;(8-fluoro-3-propan-2-ylindolizin-5-yl)-(1H-imidazol-2-yl)methanol;[4-fluoro-2-(1,3-thiazol-4-yl)phenyl]-(1H-imidazol-2-yl)methanol (PubChem CID 162201957) has the molecular formula C83H80F6N18O6S and a molecular weight of 1571.73 g/mol. Its IUPAC name is tris((3-ethyl-8-fluoroindolizin-5-yl)-(1H-imidazol-2-yl)methanol);(8-fluoro-3-methylindolizin-5-yl)-(1H-imidazol-2-yl)methanol;(8-fluoro-3-propan-2-ylindolizin-5-yl)-(1H-imidazol-2-yl)methanol;[4-fluoro-2-(1,3-thiazol-4-yl)phenyl]-(1H-imidazol-2-yl)methanol.

Molecular Properties

Compound Nametris((3-ethyl-8-fluoroindolizin-5-yl)-(1H-imidazol-2-yl)methanol);(8-fluoro-3-methylindolizin-5-yl)-(1H-imidazol-2-yl)methanol;(8-fluoro-3-propan-2-ylindolizin-5-yl)-(1H-imidazol-2-yl)methanol;[4-fluoro-2-(1,3-thiazol-4-yl)phenyl]-(1H-imidazol-2-yl)methanol
PubChem CID162201957
Molecular FormulaC83H80F6N18O6S
Molecular Weight1571.73 g/mol
Exact Mass1570.61
IUPAC Nametris((3-ethyl-8-fluoroindolizin-5-yl)-(1H-imidazol-2-yl)methanol);(8-fluoro-3-methylindolizin-5-yl)-(1H-imidazol-2-yl)methanol;(8-fluoro-3-propan-2-ylindolizin-5-yl)-(1H-imidazol-2-yl)methanol;[4-fluoro-2-(1,3-thiazol-4-yl)phenyl]-(1H-imidazol-2-yl)methanol
SMILESCC(C)c1ccc2c(F)ccc(C(O)c3ncc[nH]3)n12.CCc1ccc2c(F)ccc(C(O)c3ncc[nH]3)n12.CCc1ccc2c(F)ccc(C(O)c3ncc[nH]3)n12.CCc1ccc2c(F)ccc(C(O)c3ncc[nH]3)n12.Cc1ccc2c(F)ccc(C(O)c3ncc[nH]3)n12.OC(c1ncc[nH]1)c1ccc(F)cc1-c1cscn1
InChIInChI=1S/C15H16FN3O.3C14H14FN3O.C13H10FN3OS.C13H12FN3O/c1-9(2)11-5-6-12-10(16)3-4-13(19(11)12)14(20)15-17-7-8-18-15;3*1-2-9-3-5-11-10(15)4-6-12(18(9)11)13(19)14-16-7-8-17-14;14-8-1-2-9(12(18)13-15-3-4-16-13)10(5-8)11-6-19-7-17-11;1-8-2-4-10-9(14)3-5-11(17(8)10)12(18)13-15-6-7-16-13/h3-9,14,20H,1-2H3,(H,17,18);3*3-8,13,19H,2H2,1H3,(H,16,17);1-7,12,18H,(H,15,16);2-7,12,18H,1H3,(H,15,16)
InChIKeyZRRYGDGMFOAARG-UHFFFAOYSA-N
XLogP15.29
TPSA328.40 Ų
H-Bond Donors12
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001571.73
LogP ≤ 515.29
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1019

Analyze tris((3-ethyl-8-fluoroindolizin-5-yl)-(1H-imidazol-2-yl)methanol);(8-fluoro-3-methylindolizin-5-yl)-(1H-imidazol-2-yl)methanol;(8-fluoro-3-propan-2-ylindolizin-5-yl)-(1H-imidazol-2-yl)methanol;[4-fluoro-2-(1,3-thiazol-4-yl)phenyl]-(1H-imidazol-2-yl)methanol 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

1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methylimidazol-4-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[3-methyl-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
CID 161238153
4-[7-[[benzyl(methyl)amino]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine;3-[[[4-[2-(4-fluorophenyl)-7-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one;[2-(4-fluorophenyl)-3-[2-[[3-(1H-imidazol-5-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(1,3-thiazol-5-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 158585286
[3-[2-(1,3-benzothiazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 158775193
[3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 158965579
[3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 159295917
4,12-dimethyl-10-(2-thiophen-2-ylethynyl)-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;2-(4,12-dimethyl-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-10-yl)-1-(4-methylphenyl)ethanol;12-methyl-N-(pyridin-4-ylmethyl)-3,5,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-6-amine;4,8,12-trimethyl-6-[(Z)-2-pyridin-4-ylprop-1-enyl]-3,5,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene;4,8,12-trimethyl-6-[(E)-2-pyridin-4-ylprop-1-enyl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene
CID 160227002
[3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 161371643
4-(2,3-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;4-(2,6-dimethylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;[3-fluoro-2-[5-(1H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]methanol;[3-(hydroxymethyl)-4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazol-4-yl]phenyl]methanol
CID 162230781
(3S)-3-[[2-amino-5-(cyclobutylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol;(3S)-3-[[2-amino-5-(cyclohexylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;(3S)-3-[[2-amino-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol;(3S)-3-[[2-amino-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;5-benzyl-4-N-butyl-6-fluoropyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-benzyl-5-butylpyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 163934456
tert-butyl N-[9-[[5-[3-(2-chloro-1,3-thiazol-4-yl)-3-(methoxycarbonylamino)piperidin-1-yl]-2-(4-fluorophenyl)-4-pyridinyl]methyl]purin-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(7H-purin-6-yl)carbamate;methyl N-[3-(2-chloro-1,3-thiazol-4-yl)-1-[6-(4-fluorophenyl)-4-(hydroxymethyl)-3-pyridinyl]piperidin-3-yl]carbamate
CID 167671333
1-(1-methylimidazol-2-yl)-1-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]phenyl]ethanol
CID 174158756

Frequently Asked Questions

What is the IUPAC name of tris((3-ethyl-8-fluoroindolizin-5-yl)-(1H-imidazol-2-yl)methanol);(8-fluoro-3-methylindolizin-5-yl)-(1H-imidazol-2-yl)methanol;(8-fluoro-3-propan-2-ylindolizin-5-yl)-(1H-imidazol-2-yl)methanol;[4-fluoro-2-(1,3-thiazol-4-yl)phenyl]-(1H-imidazol-2-yl)methanol?
The IUPAC name of tris((3-ethyl-8-fluoroindolizin-5-yl)-(1H-imidazol-2-yl)methanol);(8-fluoro-3-methylindolizin-5-yl)-(1H-imidazol-2-yl)methanol;(8-fluoro-3-propan-2-ylindolizin-5-yl)-(1H-imidazol-2-yl)methanol;[4-fluoro-2-(1,3-thiazol-4-yl)phenyl]-(1H-imidazol-2-yl)methanol (CID 162201957) is tris((3-ethyl-8-fluoroindolizin-5-yl)-(1H-imidazol-2-yl)methanol);(8-fluoro-3-methylindolizin-5-yl)-(1H-imidazol-2-yl)methanol;(8-fluoro-3-propan-2-ylindolizin-5-yl)-(1H-imidazol-2-yl)methanol;[4-fluoro-2-(1,3-thiazol-4-yl)phenyl]-(1H-imidazol-2-yl)methanol.
What is the SMILES notation for tris((3-ethyl-8-fluoroindolizin-5-yl)-(1H-imidazol-2-yl)methanol);(8-fluoro-3-methylindolizin-5-yl)-(1H-imidazol-2-yl)methanol;(8-fluoro-3-propan-2-ylindolizin-5-yl)-(1H-imidazol-2-yl)methanol;[4-fluoro-2-(1,3-thiazol-4-yl)phenyl]-(1H-imidazol-2-yl)methanol?
The canonical SMILES for tris((3-ethyl-8-fluoroindolizin-5-yl)-(1H-imidazol-2-yl)methanol);(8-fluoro-3-methylindolizin-5-yl)-(1H-imidazol-2-yl)methanol;(8-fluoro-3-propan-2-ylindolizin-5-yl)-(1H-imidazol-2-yl)methanol;[4-fluoro-2-(1,3-thiazol-4-yl)phenyl]-(1H-imidazol-2-yl)methanol is CC(C)c1ccc2c(F)ccc(C(O)c3ncc[nH]3)n12.CCc1ccc2c(F)ccc(C(O)c3ncc[nH]3)n12.CCc1ccc2c(F)ccc(C(O)c3ncc[nH]3)n12.CCc1ccc2c(F)ccc(C(O)c3ncc[nH]3)n12.Cc1ccc2c(F)ccc(C(O)c3ncc[nH]3)n12.OC(c1ncc[nH]1)c1ccc(F)cc1-c1cscn1.
What is the InChIKey of tris((3-ethyl-8-fluoroindolizin-5-yl)-(1H-imidazol-2-yl)methanol);(8-fluoro-3-methylindolizin-5-yl)-(1H-imidazol-2-yl)methanol;(8-fluoro-3-propan-2-ylindolizin-5-yl)-(1H-imidazol-2-yl)methanol;[4-fluoro-2-(1,3-thiazol-4-yl)phenyl]-(1H-imidazol-2-yl)methanol?
The InChIKey is ZRRYGDGMFOAARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O.3C14H14FN3O.C13H10FN3OS.C13H12FN3O/c1-9(2)11-5-6-12-10(16)3-4-13(19(11)12)14(20)15-17-7-8-18-15;3*1-2-9-3-5-11-10(15)4-6-12(18(9)11)13(19)14-16-7-8-17-14;14-8-1-2-9(12(18)13-15-3-4-16-13)10(5-8)11-6-19-7-17-11;1-8-2-4-10-9(14)3-5-11(17(8)10)12(18)13-15-6-7-16-13/h3-9,14,20H,1-2H3,(H,17,18);3*3-8,13,19H,2H2,1H3,(H,16,17);1-7,12,18H,(H,15,16);2-7,12,18H,1H3,(H,15,16).
What are the key properties of tris((3-ethyl-8-fluoroindolizin-5-yl)-(1H-imidazol-2-yl)methanol);(8-fluoro-3-methylindolizin-5-yl)-(1H-imidazol-2-yl)methanol;(8-fluoro-3-propan-2-ylindolizin-5-yl)-(1H-imidazol-2-yl)methanol;[4-fluoro-2-(1,3-thiazol-4-yl)phenyl]-(1H-imidazol-2-yl)methanol?
tris((3-ethyl-8-fluoroindolizin-5-yl)-(1H-imidazol-2-yl)methanol);(8-fluoro-3-methylindolizin-5-yl)-(1H-imidazol-2-yl)methanol;(8-fluoro-3-propan-2-ylindolizin-5-yl)-(1H-imidazol-2-yl)methanol;[4-fluoro-2-(1,3-thiazol-4-yl)phenyl]-(1H-imidazol-2-yl)methanol has a molecular weight of 1571.73 g/mol, XLogP of 15.29, 17 rotatable bonds, 12 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for tris((3-ethyl-8-fluoroindolizin-5-yl)-(1H-imidazol-2-yl)methanol);(8-fluoro-3-methylindolizin-5-yl)-(1H-imidazol-2-yl)methanol;(8-fluoro-3-propan-2-ylindolizin-5-yl)-(1H-imidazol-2-yl)methanol;[4-fluoro-2-(1,3-thiazol-4-yl)phenyl]-(1H-imidazol-2-yl)methanol is sourced from PubChem (CID 162201957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).