2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;2-(aminomethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-amine

C89H93F4N25O7S — CID 167544767

About 2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;2-(aminomethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-amine

2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;2-(aminomethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 167544767) has the molecular formula C89H93F4N25O7S and a molecular weight of 1732.95 g/mol. Its IUPAC name is 2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;2-(aminomethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;2-(aminomethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-amine
• PubChem CID: 167544767
• Molecular Formula: C89H93F4N25O7S
• Molecular Weight: 1732.95 g/mol
• Exact Mass: 1731.73
• IUPAC Name: 2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;2-(aminomethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-amine
• SMILES: COCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C)nn3C)c2n1.Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C(C)N)nc23)n(C)n1.Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(CN)nc23)n(C)n1.Cc1cc(S(C)(=O)=O)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(CN)nc12
• InChI: InChI=1S/C24H24FN5O3S.C22H24FN7O.C22H23FN6O2.C21H22FN7O/c1-14-9-16(34(2,31)32)3-4-17(14)20-12-28-24(30-13-15(10-26)29-23(20)30)27-11-19-18-7-8-33-22(18)6-5-21(19)25;1-12-8-19(29(3)28-12)16-10-26-22(30-11-18(13(2)24)27-21(16)30)25-9-15-14-6-7-31-20(14)5-4-17(15)23;1-13-8-19(28(2)27-13)17-10-25-22(29-11-14(12-30-3)26-21(17)29)24-9-16-15-6-7-31-20(15)5-4-18(16)23;1-12-7-18(28(2)27-12)16-10-25-21(29-11-13(8-23)26-20(16)29)24-9-15-14-5-6-30-19(14)4-3-17(15)22/h3-6,9,12-13H,7-8,10-11,26H2,1-2H3,(H,27,28);4-5,8,10-11,13H,6-7,9,24H2,1-3H3,(H,25,26);4-5,8,10-11H,6-7,9,12H2,1-3H3,(H,24,25);3-4,7,10-11H,5-6,8-9,23H2,1-2H3,(H,24,25)
• InChIKey: BQKOIMWEPAEKTC-UHFFFAOYSA-N
• XLogP: 12.25
• TPSA: 380.69 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 22
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1732.95
LogP ≤ 5	12.25
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;2-(aminomethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-amine?

The IUPAC name of 2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;2-(aminomethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-amine (CID 167544767) is 2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;2-(aminomethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-amine.

What is the SMILES notation for 2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;2-(aminomethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-amine?

The canonical SMILES for 2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;2-(aminomethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-amine is COCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(C)nn3C)c2n1.Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(C(C)N)nc23)n(C)n1.Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cc(CN)nc23)n(C)n1.Cc1cc(S(C)(=O)=O)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(CN)nc12.

What is the InChIKey of 2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;2-(aminomethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-amine?

The InChIKey is BQKOIMWEPAEKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3S.C22H24FN7O.C22H23FN6O2.C21H22FN7O/c1-14-9-16(34(2,31)32)3-4-17(14)20-12-28-24(30-13-15(10-26)29-23(20)30)27-11-19-18-7-8-33-22(18)6-5-21(19)25;1-12-8-19(29(3)28-12)16-10-26-22(30-11-18(13(2)24)27-21(16)30)25-9-15-14-6-7-31-20(14)5-4-17(15)23;1-13-8-19(28(2)27-13)17-10-25-22(29-11-14(12-30-3)26-21(17)29)24-9-16-15-6-7-31-20(15)5-4-18(16)23;1-12-7-18(28(2)27-12)16-10-25-21(29-11-13(8-23)26-20(16)29)24-9-15-14-5-6-30-19(14)4-3-17(15)22/h3-6,9,12-13H,7-8,10-11,26H2,1-2H3,(H,27,28);4-5,8,10-11,13H,6-7,9,24H2,1-3H3,(H,25,26);4-5,8,10-11H,6-7,9,12H2,1-3H3,(H,24,25);3-4,7,10-11H,5-6,8-9,23H2,1-2H3,(H,24,25).

What are the key properties of 2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;2-(aminomethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-amine?

2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;2-(aminomethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 1732.95 g/mol, XLogP of 12.25, 22 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-aminoethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;2-(aminomethyl)-8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]imidazo[1,2-c]pyrimidin-5-amine;2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 167544767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).