N-butyl-4-[2-(4-fluorophenyl)-5-(pyrazin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine

C106H95F4N25O4 — CID 157247561

About N-butyl-4-[2-(4-fluorophenyl)-5-(pyrazin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine

N-butyl-4-[2-(4-fluorophenyl)-5-(pyrazin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine (PubChem CID 157247561) has the molecular formula C106H95F4N25O4 and a molecular weight of 1859.09 g/mol. Its IUPAC name is N-butyl-4-[2-(4-fluorophenyl)-5-(pyrazin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-butyl-4-[2-(4-fluorophenyl)-5-(pyrazin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
• PubChem CID: 157247561
• Molecular Formula: C106H95F4N25O4
• Molecular Weight: 1859.09 g/mol
• Exact Mass: 1857.79
• IUPAC Name: N-butyl-4-[2-(4-fluorophenyl)-5-(pyrazin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
• SMILES: CCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2cnccn2)CC3)n1.CCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2nccc4ccccc24)CC3)n1.CNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2nccc4ccccc24)CC3)n1.Nc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2nccc4ccccc24)CC3)n1
• InChI: InChI=1S/C28H25FN6O.C27H23FN6O.C26H21FN6O.C25H26FN7O/c1-2-30-28-32-16-14-23(33-28)26-25(19-7-9-20(29)10-8-19)34-24-12-11-21(35(24)26)17-36-27-22-6-4-3-5-18(22)13-15-31-27;1-29-27-31-15-13-22(32-27)25-24(18-6-8-19(28)9-7-18)33-23-11-10-20(34(23)25)16-35-26-21-5-3-2-4-17(21)12-14-30-26;27-18-7-5-17(6-8-18)23-24(21-12-14-30-26(28)31-21)33-19(9-10-22(33)32-23)15-34-25-20-4-2-1-3-16(20)11-13-29-25;1-2-3-11-29-25-30-12-10-20(31-25)24-23(17-4-6-18(26)7-5-17)32-21-9-8-19(33(21)24)16-34-22-15-27-13-14-28-22/h3-10,13-16,21H,2,11-12,17H2,1H3,(H,30,32,33);2-9,12-15,20H,10-11,16H2,1H3,(H,29,31,32);1-8,11-14,19H,9-10,15H2,(H2,28,30,31);4-7,10,12-15,19H,2-3,8-9,11,16H2,1H3,(H,29,30,31)
• InChIKey: AVYPKFGIDVOKOX-UHFFFAOYSA-N
• XLogP: 20.55
• TPSA: 337.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 27
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1859.09
LogP ≤ 5	20.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[2-(4-fluorophenyl)-5-(pyrazin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?

The IUPAC name of N-butyl-4-[2-(4-fluorophenyl)-5-(pyrazin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine (CID 157247561) is N-butyl-4-[2-(4-fluorophenyl)-5-(pyrazin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine.

What is the SMILES notation for N-butyl-4-[2-(4-fluorophenyl)-5-(pyrazin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?

The canonical SMILES for N-butyl-4-[2-(4-fluorophenyl)-5-(pyrazin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine is CCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2cnccn2)CC3)n1.CCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2nccc4ccccc24)CC3)n1.CNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2nccc4ccccc24)CC3)n1.Nc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2nccc4ccccc24)CC3)n1.

What is the InChIKey of N-butyl-4-[2-(4-fluorophenyl)-5-(pyrazin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?

The InChIKey is AVYPKFGIDVOKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN6O.C27H23FN6O.C26H21FN6O.C25H26FN7O/c1-2-30-28-32-16-14-23(33-28)26-25(19-7-9-20(29)10-8-19)34-24-12-11-21(35(24)26)17-36-27-22-6-4-3-5-18(22)13-15-31-27;1-29-27-31-15-13-22(32-27)25-24(18-6-8-19(28)9-7-18)33-23-11-10-20(34(23)25)16-35-26-21-5-3-2-4-17(21)12-14-30-26;27-18-7-5-17(6-8-18)23-24(21-12-14-30-26(28)31-21)33-19(9-10-22(33)32-23)15-34-25-20-4-2-1-3-16(20)11-13-29-25;1-2-3-11-29-25-30-12-10-20(31-25)24-23(17-4-6-18(26)7-5-17)32-21-9-8-19(33(21)24)16-34-22-15-27-13-14-28-22/h3-10,13-16,21H,2,11-12,17H2,1H3,(H,30,32,33);2-9,12-15,20H,10-11,16H2,1H3,(H,29,31,32);1-8,11-14,19H,9-10,15H2,(H2,28,30,31);4-7,10,12-15,19H,2-3,8-9,11,16H2,1H3,(H,29,30,31).

What are the key properties of N-butyl-4-[2-(4-fluorophenyl)-5-(pyrazin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?

N-butyl-4-[2-(4-fluorophenyl)-5-(pyrazin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine has a molecular weight of 1859.09 g/mol, XLogP of 20.55, 27 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-4-[2-(4-fluorophenyl)-5-(pyrazin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-(isoquinolin-1-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 157247561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).