8-[2-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-difluoro-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine

C68H59F8N15O3 — CID 157078480

About 8-[2-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-difluoro-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine

8-[2-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-difluoro-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine (PubChem CID 157078480) has the molecular formula C68H59F8N15O3 and a molecular weight of 1286.31 g/mol. Its IUPAC name is 8-[2-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-difluoro-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 8-[2-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-difluoro-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine
• PubChem CID: 157078480
• Molecular Formula: C68H59F8N15O3
• Molecular Weight: 1286.31 g/mol
• Exact Mass: 1285.48
• IUPAC Name: 8-[2-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-difluoro-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine
• SMILES: Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(F)cnc3F)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN(C)C)c(F)c3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccnc3C(F)F)c2n1
• InChI: InChI=1S/C25H25F2N5O.C22H18F3N5O.C21H16F3N5O/c1-15-13-32-24(30-15)19(16-4-5-17(14-31(2)3)22(27)10-16)11-28-25(32)29-12-20-18-8-9-33-23(18)7-6-21(20)26;1-12-11-30-21(29-12)16(14-3-2-7-26-19(14)20(24)25)10-28-22(30)27-9-15-13-6-8-31-18(13)5-4-17(15)23;1-11-10-29-20(28-11)16(14-6-12(22)7-25-19(14)24)9-27-21(29)26-8-15-13-4-5-30-18(13)3-2-17(15)23/h4-7,10-11,13H,8-9,12,14H2,1-3H3,(H,28,29);2-5,7,10-11,20H,6,8-9H2,1H3,(H,27,28);2-3,6-7,9-10H,4-5,8H2,1H3,(H,26,27)
• InChIKey: ADGHBGBIWTYAJP-UHFFFAOYSA-N
• XLogP: 13.38
• TPSA: 183.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1286.31
LogP ≤ 5	13.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[2-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-difluoro-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?

The IUPAC name of 8-[2-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-difluoro-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine (CID 157078480) is 8-[2-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-difluoro-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine.

What is the SMILES notation for 8-[2-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-difluoro-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?

The canonical SMILES for 8-[2-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-difluoro-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine is Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cc(F)cnc3F)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccc(CN(C)C)c(F)c3)c2n1.Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3cccnc3C(F)F)c2n1.

What is the InChIKey of 8-[2-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-difluoro-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?

The InChIKey is ADGHBGBIWTYAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5O.C22H18F3N5O.C21H16F3N5O/c1-15-13-32-24(30-15)19(16-4-5-17(14-31(2)3)22(27)10-16)11-28-25(32)29-12-20-18-8-9-33-23(18)7-6-21(20)26;1-12-11-30-21(29-12)16(14-3-2-7-26-19(14)20(24)25)10-28-22(30)27-9-15-13-6-8-31-18(13)5-4-17(15)23;1-11-10-29-20(28-11)16(14-6-12(22)7-25-19(14)24)9-27-21(29)26-8-15-13-4-5-30-18(13)3-2-17(15)23/h4-7,10-11,13H,8-9,12,14H2,1-3H3,(H,28,29);2-5,7,10-11,20H,6,8-9H2,1H3,(H,27,28);2-3,6-7,9-10H,4-5,8H2,1H3,(H,26,27).

What are the key properties of 8-[2-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-difluoro-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?

8-[2-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-difluoro-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 1286.31 g/mol, XLogP of 13.38, 15 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-difluoro-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 157078480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).