2-(diethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]ethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-methoxyethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-(2-methoxyethoxy)ethanone;[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-(oxetan-3-yl)methanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone

C124H146F5N27O14 — CID 157330340

About 2-(diethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]ethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-methoxyethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-(2-methoxyethoxy)ethanone;[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-(oxetan-3-yl)methanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone

2-(diethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]ethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-methoxyethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-(2-methoxyethoxy)ethanone;[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-(oxetan-3-yl)methanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone (PubChem CID 157330340) has the molecular formula C124H146F5N27O14 and a molecular weight of 2333.70 g/mol. Its IUPAC name is 2-(diethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]ethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-methoxyethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-(2-methoxyethoxy)ethanone;[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-(oxetan-3-yl)methanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone.

Molecular Properties

• Compound Name: 2-(diethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]ethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-methoxyethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-(2-methoxyethoxy)ethanone;[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-(oxetan-3-yl)methanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
• PubChem CID: 157330340
• Molecular Formula: C124H146F5N27O14
• Molecular Weight: 2333.70 g/mol
• Exact Mass: 2332.15
• IUPAC Name: 2-(diethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]ethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-methoxyethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-(2-methoxyethoxy)ethanone;[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-(oxetan-3-yl)methanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
• SMILES: CCN(CC)CC(=O)N1CCC(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC1.COCC(=O)N1CCC(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC1.COCCOCC(=O)N1CCC(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC1.O=C(C1COC1)N1CCC(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC1.O=C(CN1CCCC1)N1CCC(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC1
• InChI: InChI=1S/C26H31FN6O2.C26H33FN6O2.C25H30FN5O4.C24H26FN5O3.C23H26FN5O3/c27-22-4-5-23-20(9-14-35-23)19(22)3-6-24-28-15-21(26-30-29-17-33(24)26)18-7-12-32(13-8-18)25(34)16-31-10-1-2-11-31;1-3-31(4-2)16-25(34)32-12-9-18(10-13-32)21-15-28-24(33-17-29-30-26(21)33)8-5-19-20-11-14-35-23(20)7-6-22(19)27;1-33-12-13-34-15-24(32)30-9-6-17(7-10-30)20-14-27-23(31-16-28-29-25(20)31)5-2-18-19-8-11-35-22(19)4-3-21(18)26;25-20-2-3-21-18(7-10-33-21)17(20)1-4-22-26-11-19(23-28-27-14-30(22)23)15-5-8-29(9-6-15)24(31)16-12-32-13-16;1-31-13-22(30)28-9-6-15(7-10-28)18-12-25-21(29-14-26-27-23(18)29)5-2-16-17-8-11-32-20(17)4-3-19(16)24/h4-5,15,17-18H,1-3,6-14,16H2;6-7,15,17-18H,3-5,8-14,16H2,1-2H3;3-4,14,16-17H,2,5-13,15H2,1H3;2-3,11,14-16H,1,4-10,12-13H2;3-4,12,14-15H,2,5-11,13H2,1H3
• InChIKey: BFFDRKQCKIOAMR-UHFFFAOYSA-N
• XLogP: 12.84
• TPSA: 406.50 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 34
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2333.70
LogP ≤ 5	12.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]ethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-methoxyethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-(2-methoxyethoxy)ethanone;[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-(oxetan-3-yl)methanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone?

The IUPAC name of 2-(diethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]ethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-methoxyethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-(2-methoxyethoxy)ethanone;[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-(oxetan-3-yl)methanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone (CID 157330340) is 2-(diethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]ethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-methoxyethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-(2-methoxyethoxy)ethanone;[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-(oxetan-3-yl)methanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone.

What is the SMILES notation for 2-(diethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]ethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-methoxyethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-(2-methoxyethoxy)ethanone;[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-(oxetan-3-yl)methanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone?

The canonical SMILES for 2-(diethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]ethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-methoxyethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-(2-methoxyethoxy)ethanone;[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-(oxetan-3-yl)methanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone is CCN(CC)CC(=O)N1CCC(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC1.COCC(=O)N1CCC(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC1.COCCOCC(=O)N1CCC(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC1.O=C(C1COC1)N1CCC(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC1.O=C(CN1CCCC1)N1CCC(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC1.

What is the InChIKey of 2-(diethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]ethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-methoxyethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-(2-methoxyethoxy)ethanone;[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-(oxetan-3-yl)methanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone?

The InChIKey is BFFDRKQCKIOAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6O2.C26H33FN6O2.C25H30FN5O4.C24H26FN5O3.C23H26FN5O3/c27-22-4-5-23-20(9-14-35-23)19(22)3-6-24-28-15-21(26-30-29-17-33(24)26)18-7-12-32(13-8-18)25(34)16-31-10-1-2-11-31;1-3-31(4-2)16-25(34)32-12-9-18(10-13-32)21-15-28-24(33-17-29-30-26(21)33)8-5-19-20-11-14-35-23(20)7-6-22(19)27;1-33-12-13-34-15-24(32)30-9-6-17(7-10-30)20-14-27-23(31-16-28-29-25(20)31)5-2-18-19-8-11-35-22(19)4-3-21(18)26;25-20-2-3-21-18(7-10-33-21)17(20)1-4-22-26-11-19(23-28-27-14-30(22)23)15-5-8-29(9-6-15)24(31)16-12-32-13-16;1-31-13-22(30)28-9-6-15(7-10-28)18-12-25-21(29-14-26-27-23(18)29)5-2-16-17-8-11-32-20(17)4-3-19(16)24/h4-5,15,17-18H,1-3,6-14,16H2;6-7,15,17-18H,3-5,8-14,16H2,1-2H3;3-4,14,16-17H,2,5-13,15H2,1H3;2-3,11,14-16H,1,4-10,12-13H2;3-4,12,14-15H,2,5-11,13H2,1H3.

What are the key properties of 2-(diethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]ethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-methoxyethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-(2-methoxyethoxy)ethanone;[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-(oxetan-3-yl)methanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone?

2-(diethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]ethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-methoxyethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-(2-methoxyethoxy)ethanone;[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-(oxetan-3-yl)methanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone has a molecular weight of 2333.70 g/mol, XLogP of 12.84, 34 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(diethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]ethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-methoxyethanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-(2-methoxyethoxy)ethanone;[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-(oxetan-3-yl)methanone;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 157330340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).