4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid;N-[[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methyl]methanesulfonamide;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-3-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine

C93H105F4N23O9S — CID 159336017

IUPAC4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid;N-[[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methyl]methanesulfonamide;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-3-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine
SMILESCc1c(CCOc2c(F)cccc2-c2ccc3ncc(CCN)n3c2)c(CN)nn1C.Cc1c(CCOc2c(F)cccc2-c2ccc3ncc(CCN)n3c2)c(CNS(C)(=O)=O)nn1C.Cc1c(CCOc2ccc(F)cc2-c2ccc3ncc(CCN)n3c2)c(C(=O)O)nn1C.Cc1c(CCOc2ccc(F)cc2-c2ccc3ncc(CCN)n3c2)c(C(N)=O)nn1C
InChIInChI=1S/C24H29FN6O3S.C23H25FN6O2.C23H27FN6O.C23H24FN5O3/c1-16-19(22(29-30(16)2)14-28-35(3,32)33)10-12-34-24-20(5-4-6-21(24)25)17-7-8-23-27-13-18(9-11-26)31(23)15-17;1-14-18(22(23(26)31)28-29(14)2)8-10-32-20-5-4-16(24)11-19(20)15-3-6-21-27-12-17(7-9-25)30(21)13-15;1-15-18(21(12-26)28-29(15)2)9-11-31-23-19(4-3-5-20(23)24)16-6-7-22-27-13-17(8-10-25)30(22)14-16;1-14-18(22(23(30)31)27-28(14)2)8-10-32-20-5-4-16(24)11-19(20)15-3-6-21-26-12-17(7-9-25)29(21)13-15/h4-8,13,15,28H,9-12,14,26H2,1-3H3;3-6,11-13H,7-10,25H2,1-2H3,(H2,26,31);3-7,13-14H,8-12,25-26H2,1-2H3;3-6,11-13H,7-10,25H2,1-2H3,(H,30,31)
InChIKeyLFNUBSODPNOEQX-UHFFFAOYSA-N
MW1797.07 g/mol
LogP10.53
Rot. Bonds34

About 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid;N-[[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methyl]methanesulfonamide;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-3-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine

4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid;N-[[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methyl]methanesulfonamide;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-3-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine (PubChem CID 159336017) has the molecular formula C93H105F4N23O9S and a molecular weight of 1797.07 g/mol. Its IUPAC name is 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid;N-[[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methyl]methanesulfonamide;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-3-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine.

Molecular Properties

Compound Name4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid;N-[[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methyl]methanesulfonamide;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-3-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine
PubChem CID159336017
Molecular FormulaC93H105F4N23O9S
Molecular Weight1797.07 g/mol
Exact Mass1795.81
IUPAC Name4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid;N-[[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methyl]methanesulfonamide;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-3-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine
SMILESCc1c(CCOc2c(F)cccc2-c2ccc3ncc(CCN)n3c2)c(CN)nn1C.Cc1c(CCOc2c(F)cccc2-c2ccc3ncc(CCN)n3c2)c(CNS(C)(=O)=O)nn1C.Cc1c(CCOc2ccc(F)cc2-c2ccc3ncc(CCN)n3c2)c(C(=O)O)nn1C.Cc1c(CCOc2ccc(F)cc2-c2ccc3ncc(CCN)n3c2)c(C(N)=O)nn1C
InChIInChI=1S/C24H29FN6O3S.C23H25FN6O2.C23H27FN6O.C23H24FN5O3/c1-16-19(22(29-30(16)2)14-28-35(3,32)33)10-12-34-24-20(5-4-6-21(24)25)17-7-8-23-27-13-18(9-11-26)31(23)15-17;1-14-18(22(23(26)31)28-29(14)2)8-10-32-20-5-4-16(24)11-19(20)15-3-6-21-27-12-17(7-9-25)30(21)13-15;1-15-18(21(12-26)28-29(15)2)9-11-31-23-19(4-3-5-20(23)24)16-6-7-22-27-13-17(8-10-25)30(22)14-16;1-14-18(22(23(30)31)27-28(14)2)8-10-32-20-5-4-16(24)11-19(20)15-3-6-21-26-12-17(7-9-25)29(21)13-15/h4-8,13,15,28H,9-12,14,26H2,1-3H3;3-6,11-13H,7-10,25H2,1-2H3,(H2,26,31);3-7,13-14H,8-12,25-26H2,1-2H3;3-6,11-13H,7-10,25H2,1-2H3,(H,30,31)
InChIKeyLFNUBSODPNOEQX-UHFFFAOYSA-N
XLogP10.53
TPSA434.06 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds34
Heavy Atoms130
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001797.07
LogP ≤ 510.53
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1029

Analyze 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid;N-[[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methyl]methanesulfonamide;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-3-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid;N-[[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methyl]methanesulfonamide;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-3-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine?
The IUPAC name of 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid;N-[[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methyl]methanesulfonamide;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-3-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine (CID 159336017) is 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid;N-[[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methyl]methanesulfonamide;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-3-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine.
What is the SMILES notation for 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid;N-[[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methyl]methanesulfonamide;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-3-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine?
The canonical SMILES for 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid;N-[[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methyl]methanesulfonamide;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-3-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine is Cc1c(CCOc2c(F)cccc2-c2ccc3ncc(CCN)n3c2)c(CN)nn1C.Cc1c(CCOc2c(F)cccc2-c2ccc3ncc(CCN)n3c2)c(CNS(C)(=O)=O)nn1C.Cc1c(CCOc2ccc(F)cc2-c2ccc3ncc(CCN)n3c2)c(C(=O)O)nn1C.Cc1c(CCOc2ccc(F)cc2-c2ccc3ncc(CCN)n3c2)c(C(N)=O)nn1C.
What is the InChIKey of 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid;N-[[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methyl]methanesulfonamide;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-3-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine?
The InChIKey is LFNUBSODPNOEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O3S.C23H25FN6O2.C23H27FN6O.C23H24FN5O3/c1-16-19(22(29-30(16)2)14-28-35(3,32)33)10-12-34-24-20(5-4-6-21(24)25)17-7-8-23-27-13-18(9-11-26)31(23)15-17;1-14-18(22(23(26)31)28-29(14)2)8-10-32-20-5-4-16(24)11-19(20)15-3-6-21-27-12-17(7-9-25)30(21)13-15;1-15-18(21(12-26)28-29(15)2)9-11-31-23-19(4-3-5-20(23)24)16-6-7-22-27-13-17(8-10-25)30(22)14-16;1-14-18(22(23(30)31)27-28(14)2)8-10-32-20-5-4-16(24)11-19(20)15-3-6-21-26-12-17(7-9-25)29(21)13-15/h4-8,13,15,28H,9-12,14,26H2,1-3H3;3-6,11-13H,7-10,25H2,1-2H3,(H2,26,31);3-7,13-14H,8-12,25-26H2,1-2H3;3-6,11-13H,7-10,25H2,1-2H3,(H,30,31).
What are the key properties of 4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid;N-[[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methyl]methanesulfonamide;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-3-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine?
4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid;N-[[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methyl]methanesulfonamide;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-3-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine has a molecular weight of 1797.07 g/mol, XLogP of 10.53, 34 rotatable bonds, 8 hydrogen bond donors, and 29 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]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid;N-[[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methyl]methanesulfonamide;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-3-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine is sourced from PubChem (CID 159336017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).