4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid;[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide

C118H131F5N28O11 — CID 157202183

IUPAC4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid;[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)c(C)c1CCOc1c(F)cccc1-c1ccc2ncc(CCN)n2c1.Cc1c(CCOc2c(F)cccc2-c2ccc3ncc(CCN)n3c2)c(C(=O)N(C)C)nn1C.Cc1c(CCOc2c(F)cccc2-c2ccc3ncc(CCN)n3c2)c(C(=O)O)nn1C.Cc1c(CCOc2c(F)cccc2-c2ccc3ncc(CCN)n3c2)c(C(N)=O)nn1C.Cc1c(CCOc2c(F)cccc2-c2ccc3ncc(CCN)n3c2)c(CO)nn1C
InChIInChI=1S/C25H29FN6O2.C24H27FN6O2.C23H25FN6O2.C23H24FN5O3.C23H26FN5O2/c1-16-19(23(29-31(16)4)25(33)30(2)3)11-13-34-24-20(6-5-7-21(24)26)17-8-9-22-28-14-18(10-12-27)32(22)15-17;1-15-18(22(24(32)27-2)29-30(15)3)10-12-33-23-19(5-4-6-20(23)25)16-7-8-21-28-13-17(9-11-26)31(21)14-16;1-14-17(21(23(26)31)28-29(14)2)9-11-32-22-18(4-3-5-19(22)24)15-6-7-20-27-12-16(8-10-25)30(20)13-15;1-14-17(21(23(30)31)27-28(14)2)9-11-32-22-18(4-3-5-19(22)24)15-6-7-20-26-12-16(8-10-25)29(20)13-15;1-15-18(21(14-30)27-28(15)2)9-11-31-23-19(4-3-5-20(23)24)16-6-7-22-26-12-17(8-10-25)29(22)13-16/h5-9,14-15H,10-13,27H2,1-4H3;4-8,13-14H,9-12,26H2,1-3H3,(H,27,32);3-7,12-13H,8-11,25H2,1-2H3,(H2,26,31);3-7,12-13H,8-11,25H2,1-2H3,(H,30,31);3-7,12-13,30H,8-11,14,25H2,1-2H3
InChIKeyAQXQYFSVMZFRMW-UHFFFAOYSA-N
MW2212.52 g/mol
LogP13.88
Rot. Bonds40

About 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid;[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide

4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid;[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide (PubChem CID 157202183) has the molecular formula C118H131F5N28O11 and a molecular weight of 2212.52 g/mol. Its IUPAC name is 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid;[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid;[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide
PubChem CID157202183
Molecular FormulaC118H131F5N28O11
Molecular Weight2212.52 g/mol
Exact Mass2211.05
IUPAC Name4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid;[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)c(C)c1CCOc1c(F)cccc1-c1ccc2ncc(CCN)n2c1.Cc1c(CCOc2c(F)cccc2-c2ccc3ncc(CCN)n3c2)c(C(=O)N(C)C)nn1C.Cc1c(CCOc2c(F)cccc2-c2ccc3ncc(CCN)n3c2)c(C(=O)O)nn1C.Cc1c(CCOc2c(F)cccc2-c2ccc3ncc(CCN)n3c2)c(C(N)=O)nn1C.Cc1c(CCOc2c(F)cccc2-c2ccc3ncc(CCN)n3c2)c(CO)nn1C
InChIInChI=1S/C25H29FN6O2.C24H27FN6O2.C23H25FN6O2.C23H24FN5O3.C23H26FN5O2/c1-16-19(23(29-31(16)4)25(33)30(2)3)11-13-34-24-20(6-5-7-21(24)26)17-8-9-22-28-14-18(10-12-27)32(22)15-17;1-15-18(22(24(32)27-2)29-30(15)3)10-12-33-23-19(5-4-6-20(23)25)16-7-8-21-28-13-17(9-11-26)31(21)14-16;1-14-17(21(23(26)31)28-29(14)2)9-11-32-22-18(4-3-5-19(22)24)15-6-7-20-27-12-16(8-10-25)30(20)13-15;1-14-17(21(23(30)31)27-28(14)2)9-11-32-22-18(4-3-5-19(22)24)15-6-7-20-26-12-16(8-10-25)29(20)13-15;1-15-18(21(14-30)27-28(15)2)9-11-31-23-19(4-3-5-20(23)24)16-6-7-22-26-12-17(8-10-25)29(22)13-16/h5-9,14-15H,10-13,27H2,1-4H3;4-8,13-14H,9-12,26H2,1-3H3,(H,27,32);3-7,12-13H,8-11,25H2,1-2H3,(H2,26,31);3-7,12-13H,8-11,25H2,1-2H3,(H,30,31);3-7,12-13,30H,8-11,14,25H2,1-2H3
InChIKeyAQXQYFSVMZFRMW-UHFFFAOYSA-N
XLogP13.88
TPSA501.88 Ų
H-Bond Donors9
H-Bond Acceptors35
Rotatable Bonds40
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002212.52
LogP ≤ 513.88
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1035

Analyze 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid;[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide with MolForge

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Related Compounds

4-[2-[5-Fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid
CID 137365880
4-[2-[5-Fluoro-2-[3-[2-(methylamino)ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid
CID 137365986
4-[2-[5-Fluoro-2-[3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid
CID 137366090
4-[2-[5-Fluoro-2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid
CID 137366092
tert-butyl N-[2-[6-[2-[2-[1,5-dimethyl-3-(morpholine-4-carbonyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethyl]carbamate
CID 137366141
4-[2-[2-[3-(2-Aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid
CID 137366167
4-[2-[2-[3-(2-Aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid
CID 145754862
4-[2-[2-[3-(2-Aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid
CID 145754902
[5-Fluoro-4-[[[8-(5-methyl-3-propan-2-ylimidazo[1,2-a]pyridin-8-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-yl]methyl 8-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]imidazo[1,2-a]pyridine-5-carboxylate
CID 156107962
[5-(4-Fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[5-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;piperidin-1-yl-[5-pyrimidin-5-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 157202689
2-[4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]ethanone;4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-[2-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-pyridinyl]-3-(trifluoromethyl)benzamide;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[4-(2-pyrrolidin-1-ylethoxy)-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 157572711
2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(1-benzylpyrazol-4-yl)-6-fluoroquinoline-4-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-hydroxy-3-(4-methylphenyl)propyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-hydroxy-3-(5-methyl-2-pyridinyl)propyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)-2-propoxypyridine-3-carboxamide;2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-4-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 157608478

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid;[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid;[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide (CID 157202183) is 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid;[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid;[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid;[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide is CNC(=O)c1nn(C)c(C)c1CCOc1c(F)cccc1-c1ccc2ncc(CCN)n2c1.Cc1c(CCOc2c(F)cccc2-c2ccc3ncc(CCN)n3c2)c(C(=O)N(C)C)nn1C.Cc1c(CCOc2c(F)cccc2-c2ccc3ncc(CCN)n3c2)c(C(=O)O)nn1C.Cc1c(CCOc2c(F)cccc2-c2ccc3ncc(CCN)n3c2)c(C(N)=O)nn1C.Cc1c(CCOc2c(F)cccc2-c2ccc3ncc(CCN)n3c2)c(CO)nn1C.
What is the InChIKey of 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid;[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide?
The InChIKey is AQXQYFSVMZFRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O2.C24H27FN6O2.C23H25FN6O2.C23H24FN5O3.C23H26FN5O2/c1-16-19(23(29-31(16)4)25(33)30(2)3)11-13-34-24-20(6-5-7-21(24)26)17-8-9-22-28-14-18(10-12-27)32(22)15-17;1-15-18(22(24(32)27-2)29-30(15)3)10-12-33-23-19(5-4-6-20(23)25)16-7-8-21-28-13-17(9-11-26)31(21)14-16;1-14-17(21(23(26)31)28-29(14)2)9-11-32-22-18(4-3-5-19(22)24)15-6-7-20-27-12-16(8-10-25)30(20)13-15;1-14-17(21(23(30)31)27-28(14)2)9-11-32-22-18(4-3-5-19(22)24)15-6-7-20-26-12-16(8-10-25)29(20)13-15;1-15-18(21(14-30)27-28(15)2)9-11-31-23-19(4-3-5-20(23)24)16-6-7-22-26-12-17(8-10-25)29(22)13-16/h5-9,14-15H,10-13,27H2,1-4H3;4-8,13-14H,9-12,26H2,1-3H3,(H,27,32);3-7,12-13H,8-11,25H2,1-2H3,(H2,26,31);3-7,12-13H,8-11,25H2,1-2H3,(H,30,31);3-7,12-13,30H,8-11,14,25H2,1-2H3.
What are the key properties of 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid;[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide?
4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid;[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide has a molecular weight of 2212.52 g/mol, XLogP of 13.88, 40 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid;[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 157202183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).