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

C95H105F4N23O9 — CID 158471098

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

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;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide (PubChem CID 158471098) has the molecular formula C95H105F4N23O9 and a molecular weight of 1789.03 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;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 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;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide
• PubChem CID: 158471098
• Molecular Formula: C95H105F4N23O9
• Molecular Weight: 1789.03 g/mol
• Exact Mass: 1787.84
• IUPAC Name: 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;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide
• SMILES: CNC(=O)c1nn(C)c(C)c1CCOc1ccc(F)cc1-c1ccc2ncc(CCN)n2c1.Cc1c(CCOc2ccc(F)cc2-c2ccc3ncc(CCN)n3c2)c(C(=O)N(C)C)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
• InChI: InChI=1S/C25H29FN6O2.C24H27FN6O2.C23H25FN6O2.C23H24FN5O3/c1-16-20(24(29-31(16)4)25(33)30(2)3)10-12-34-22-7-6-18(26)13-21(22)17-5-8-23-28-14-19(9-11-27)32(23)15-17;1-15-19(23(24(32)27-2)29-30(15)3)9-11-33-21-6-5-17(25)12-20(21)16-4-7-22-28-13-18(8-10-26)31(22)14-16;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;1-14-18(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/h5-8,13-15H,9-12,27H2,1-4H3;4-7,12-14H,8-11,26H2,1-3H3,(H,27,32);3-6,11-13H,7-10,25H2,1-2H3,(H2,26,31);3-6,11-13H,7-10,25H2,1-2H3,(H,30,31)
• InChIKey: HGIYFFGDILVNBA-UHFFFAOYSA-N
• XLogP: 11.08
• TPSA: 411.28 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 32
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1789.03
LogP ≤ 5	11.08
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

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;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-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]-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;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide (CID 158471098) 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;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-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]-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;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-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]-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;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide is CNC(=O)c1nn(C)c(C)c1CCOc1ccc(F)cc1-c1ccc2ncc(CCN)n2c1.Cc1c(CCOc2ccc(F)cc2-c2ccc3ncc(CCN)n3c2)c(C(=O)N(C)C)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;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide?

The InChIKey is HGIYFFGDILVNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O2.C24H27FN6O2.C23H25FN6O2.C23H24FN5O3/c1-16-20(24(29-31(16)4)25(33)30(2)3)10-12-34-22-7-6-18(26)13-21(22)17-5-8-23-28-14-19(9-11-27)32(23)15-17;1-15-19(23(24(32)27-2)29-30(15)3)9-11-33-21-6-5-17(25)12-20(21)16-4-7-22-28-13-18(8-10-26)31(22)14-16;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;1-14-18(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/h5-8,13-15H,9-12,27H2,1-4H3;4-7,12-14H,8-11,26H2,1-3H3,(H,27,32);3-6,11-13H,7-10,25H2,1-2H3,(H2,26,31);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;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide?

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;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide has a molecular weight of 1789.03 g/mol, XLogP of 11.08, 32 rotatable bonds, 7 hydrogen bond donors, and 28 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;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-4-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 158471098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).