2-[[3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile;N-butyl-4-[2-(4-fluorophenyl)-5-(pyrimidin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;2-[[3-[2-(ethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile;2-[[2-(4-fluorophenyl)-3-[2-(propylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile

C106H104F4N28O4 — CID 158590219

About 2-[[3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile;N-butyl-4-[2-(4-fluorophenyl)-5-(pyrimidin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;2-[[3-[2-(ethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile;2-[[2-(4-fluorophenyl)-3-[2-(propylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile

2-[[3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile;N-butyl-4-[2-(4-fluorophenyl)-5-(pyrimidin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;2-[[3-[2-(ethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile;2-[[2-(4-fluorophenyl)-3-[2-(propylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile (PubChem CID 158590219) has the molecular formula C106H104F4N28O4 and a molecular weight of 1910.18 g/mol. Its IUPAC name is 2-[[3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile;N-butyl-4-[2-(4-fluorophenyl)-5-(pyrimidin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;2-[[3-[2-(ethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile;2-[[2-(4-fluorophenyl)-3-[2-(propylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-[[3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile;N-butyl-4-[2-(4-fluorophenyl)-5-(pyrimidin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;2-[[3-[2-(ethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile;2-[[2-(4-fluorophenyl)-3-[2-(propylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile
• PubChem CID: 158590219
• Molecular Formula: C106H104F4N28O4
• Molecular Weight: 1910.18 g/mol
• Exact Mass: 1908.87
• IUPAC Name: 2-[[3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile;N-butyl-4-[2-(4-fluorophenyl)-5-(pyrimidin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;2-[[3-[2-(ethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile;2-[[2-(4-fluorophenyl)-3-[2-(propylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile
• SMILES: CCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2nc(C)ccc2C#N)CC3)n1.CCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2ncccn2)CC3)n1.CCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2nc(C)ccc2C#N)CC3)n1.CCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2nc(C)ccc2C#N)CC3)n1
• InChI: InChI=1S/C28H28FN7O.C27H26FN7O.C26H24FN7O.C25H26FN7O/c1-3-4-14-31-28-32-15-13-23(34-28)26-25(19-7-9-21(29)10-8-19)35-24-12-11-22(36(24)26)17-37-27-20(16-30)6-5-18(2)33-27;1-3-13-30-27-31-14-12-22(33-27)25-24(18-6-8-20(28)9-7-18)34-23-11-10-21(35(23)25)16-36-26-19(15-29)5-4-17(2)32-26;1-3-29-26-30-13-12-21(32-26)24-23(17-6-8-19(27)9-7-17)33-22-11-10-20(34(22)24)15-35-25-18(14-28)5-4-16(2)31-25;1-2-3-12-27-24-28-15-11-20(31-24)23-22(17-5-7-18(26)8-6-17)32-21-10-9-19(33(21)23)16-34-25-29-13-4-14-30-25/h5-10,13,15,22H,3-4,11-12,14,17H2,1-2H3,(H,31,32,34);4-9,12,14,21H,3,10-11,13,16H2,1-2H3,(H,30,31,33);4-9,12-13,20H,3,10-11,15H2,1-2H3,(H,29,30,32);4-8,11,13-15,19H,2-3,9-10,12,16H2,1H3,(H,27,28,31)
• InChIKey: HUITVQJHDNLGOJ-UHFFFAOYSA-N
• XLogP: 20.04
• TPSA: 395.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 33
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1910.18
LogP ≤ 5	20.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile;N-butyl-4-[2-(4-fluorophenyl)-5-(pyrimidin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;2-[[3-[2-(ethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile;2-[[2-(4-fluorophenyl)-3-[2-(propylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile?

The IUPAC name of 2-[[3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile;N-butyl-4-[2-(4-fluorophenyl)-5-(pyrimidin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;2-[[3-[2-(ethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile;2-[[2-(4-fluorophenyl)-3-[2-(propylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile (CID 158590219) is 2-[[3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile;N-butyl-4-[2-(4-fluorophenyl)-5-(pyrimidin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;2-[[3-[2-(ethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile;2-[[2-(4-fluorophenyl)-3-[2-(propylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile.

What is the SMILES notation for 2-[[3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile;N-butyl-4-[2-(4-fluorophenyl)-5-(pyrimidin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;2-[[3-[2-(ethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile;2-[[2-(4-fluorophenyl)-3-[2-(propylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile?

The canonical SMILES for 2-[[3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile;N-butyl-4-[2-(4-fluorophenyl)-5-(pyrimidin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;2-[[3-[2-(ethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile;2-[[2-(4-fluorophenyl)-3-[2-(propylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile is CCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2nc(C)ccc2C#N)CC3)n1.CCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2ncccn2)CC3)n1.CCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2nc(C)ccc2C#N)CC3)n1.CCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(COc2nc(C)ccc2C#N)CC3)n1.

What is the InChIKey of 2-[[3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile;N-butyl-4-[2-(4-fluorophenyl)-5-(pyrimidin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;2-[[3-[2-(ethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile;2-[[2-(4-fluorophenyl)-3-[2-(propylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile?

The InChIKey is HUITVQJHDNLGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN7O.C27H26FN7O.C26H24FN7O.C25H26FN7O/c1-3-4-14-31-28-32-15-13-23(34-28)26-25(19-7-9-21(29)10-8-19)35-24-12-11-22(36(24)26)17-37-27-20(16-30)6-5-18(2)33-27;1-3-13-30-27-31-14-12-22(33-27)25-24(18-6-8-20(28)9-7-18)34-23-11-10-21(35(23)25)16-36-26-19(15-29)5-4-17(2)32-26;1-3-29-26-30-13-12-21(32-26)24-23(17-6-8-19(27)9-7-17)33-22-11-10-20(34(22)24)15-35-25-18(14-28)5-4-16(2)31-25;1-2-3-12-27-24-28-15-11-20(31-24)23-22(17-5-7-18(26)8-6-17)32-21-10-9-19(33(21)23)16-34-25-29-13-4-14-30-25/h5-10,13,15,22H,3-4,11-12,14,17H2,1-2H3,(H,31,32,34);4-9,12,14,21H,3,10-11,13,16H2,1-2H3,(H,30,31,33);4-9,12-13,20H,3,10-11,15H2,1-2H3,(H,29,30,32);4-8,11,13-15,19H,2-3,9-10,12,16H2,1H3,(H,27,28,31).

What are the key properties of 2-[[3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile;N-butyl-4-[2-(4-fluorophenyl)-5-(pyrimidin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;2-[[3-[2-(ethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile;2-[[2-(4-fluorophenyl)-3-[2-(propylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile?

2-[[3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile;N-butyl-4-[2-(4-fluorophenyl)-5-(pyrimidin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;2-[[3-[2-(ethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile;2-[[2-(4-fluorophenyl)-3-[2-(propylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile has a molecular weight of 1910.18 g/mol, XLogP of 20.04, 33 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile;N-butyl-4-[2-(4-fluorophenyl)-5-(pyrimidin-2-yloxymethyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;2-[[3-[2-(ethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile;2-[[2-(4-fluorophenyl)-3-[2-(propylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methoxy]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 158590219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).