4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]-morpholin-4-ylmethanone;2-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyrazol-1-yl]ethanol

C71H66F3N15O8 — CID 158131486

About 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]-morpholin-4-ylmethanone;2-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyrazol-1-yl]ethanol

4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]-morpholin-4-ylmethanone;2-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyrazol-1-yl]ethanol (PubChem CID 158131486) has the molecular formula C71H66F3N15O8 and a molecular weight of 1314.40 g/mol. Its IUPAC name is 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]-morpholin-4-ylmethanone;2-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyrazol-1-yl]ethanol.

Molecular Properties

• Compound Name: 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]-morpholin-4-ylmethanone;2-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyrazol-1-yl]ethanol
• PubChem CID: 158131486
• Molecular Formula: C71H66F3N15O8
• Molecular Weight: 1314.40 g/mol
• Exact Mass: 1313.52
• IUPAC Name: 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]-morpholin-4-ylmethanone;2-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyrazol-1-yl]ethanol
• SMILES: Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C(=O)N4CCOCC4)cc3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C(=O)O)cc3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn(CCO)c3)c2n1
• InChI: InChI=1S/C27H26FN5O3.C23H19FN4O3.C21H21FN6O2/c1-17-16-33-25(31-17)21(18-2-4-19(5-3-18)26(34)32-9-12-35-13-10-32)14-29-27(33)30-15-22-20-8-11-36-24(20)7-6-23(22)28;1-13-12-28-21(27-13)17(14-2-4-15(5-3-14)22(29)30)10-25-23(28)26-11-18-16-8-9-31-20(16)7-6-19(18)24;1-13-11-28-20(26-13)16(14-8-25-27(12-14)5-6-29)9-23-21(28)24-10-17-15-4-7-30-19(15)3-2-18(17)22/h2-7,14,16H,8-13,15H2,1H3,(H,29,30);2-7,10,12H,8-9,11H2,1H3,(H,25,26)(H,29,30);2-3,8-9,11-12,29H,4-7,10H2,1H3,(H,23,24)
• InChIKey: FSVDYFZFVLYMPE-UHFFFAOYSA-N
• XLogP: 10.53
• TPSA: 259.24 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1314.40
LogP ≤ 5	10.53
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]-morpholin-4-ylmethanone;2-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyrazol-1-yl]ethanol?

The IUPAC name of 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]-morpholin-4-ylmethanone;2-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyrazol-1-yl]ethanol (CID 158131486) is 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]-morpholin-4-ylmethanone;2-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyrazol-1-yl]ethanol.

What is the SMILES notation for 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]-morpholin-4-ylmethanone;2-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyrazol-1-yl]ethanol?

The canonical SMILES for 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]-morpholin-4-ylmethanone;2-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyrazol-1-yl]ethanol is Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C(=O)N4CCOCC4)cc3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(C(=O)O)cc3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cnn(CCO)c3)c2n1.

What is the InChIKey of 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]-morpholin-4-ylmethanone;2-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyrazol-1-yl]ethanol?

The InChIKey is FSVDYFZFVLYMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O3.C23H19FN4O3.C21H21FN6O2/c1-17-16-33-25(31-17)21(18-2-4-19(5-3-18)26(34)32-9-12-35-13-10-32)14-29-27(33)30-15-22-20-8-11-36-24(20)7-6-23(22)28;1-13-12-28-21(27-13)17(14-2-4-15(5-3-14)22(29)30)10-25-23(28)26-11-18-16-8-9-31-20(16)7-6-19(18)24;1-13-11-28-20(26-13)16(14-8-25-27(12-14)5-6-29)9-23-21(28)24-10-17-15-4-7-30-19(15)3-2-18(17)22/h2-7,14,16H,8-13,15H2,1H3,(H,29,30);2-7,10,12H,8-9,11H2,1H3,(H,25,26)(H,29,30);2-3,8-9,11-12,29H,4-7,10H2,1H3,(H,23,24).

What are the key properties of 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]-morpholin-4-ylmethanone;2-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyrazol-1-yl]ethanol?

4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]-morpholin-4-ylmethanone;2-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyrazol-1-yl]ethanol has a molecular weight of 1314.40 g/mol, XLogP of 10.53, 16 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]benzoic acid;[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]-morpholin-4-ylmethanone;2-[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 158131486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).