N-[[3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-(cyclopropylmethyl)-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-[[3-[2-(ethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-[[2-(4-fluorophenyl)-3-[2-(propylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide

C107H107F4N25O5 — CID 158534891

About N-[[3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-(cyclopropylmethyl)-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-[[3-[2-(ethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-[[2-(4-fluorophenyl)-3-[2-(propylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide

N-[[3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-(cyclopropylmethyl)-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-[[3-[2-(ethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-[[2-(4-fluorophenyl)-3-[2-(propylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide (PubChem CID 158534891) has the molecular formula C107H107F4N25O5 and a molecular weight of 1899.19 g/mol. Its IUPAC name is N-[[3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-(cyclopropylmethyl)-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-[[3-[2-(ethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-[[2-(4-fluorophenyl)-3-[2-(propylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide.

Molecular Properties

• Compound Name: N-[[3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-(cyclopropylmethyl)-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-[[3-[2-(ethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-[[2-(4-fluorophenyl)-3-[2-(propylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide
• PubChem CID: 158534891
• Molecular Formula: C107H107F4N25O5
• Molecular Weight: 1899.19 g/mol
• Exact Mass: 1897.88
• IUPAC Name: N-[[3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-(cyclopropylmethyl)-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-[[3-[2-(ethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-[[2-(4-fluorophenyl)-3-[2-(propylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide
• SMILES: CCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(CNC(=O)c2ccccc2)CC3)n1.CCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(CNC(=O)c2ccccc2)CC3)n1.CCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(CNC(=O)c2ccccc2)CC3)n1.COc1ccc(OCC2CCc3nc(-c4ccc(F)cc4)c(-c4ccnc(NCC5CC5)n4)n32)nn1
• InChI: InChI=1S/C28H29FN6O.C27H27FN6O.C26H26FN7O2.C26H25FN6O/c1-2-3-16-30-28-31-17-15-23(33-28)26-25(19-9-11-21(29)12-10-19)34-24-14-13-22(35(24)26)18-32-27(36)20-7-5-4-6-8-20;1-2-15-29-27-30-16-14-22(32-27)25-24(18-8-10-20(28)11-9-18)33-23-13-12-21(34(23)25)17-31-26(35)19-6-4-3-5-7-19;1-35-22-10-11-23(33-32-22)36-15-19-8-9-21-31-24(17-4-6-18(27)7-5-17)25(34(19)21)20-12-13-28-26(30-20)29-14-16-2-3-16;1-2-28-26-29-15-14-21(31-26)24-23(17-8-10-19(27)11-9-17)32-22-13-12-20(33(22)24)16-30-25(34)18-6-4-3-5-7-18/h4-12,15,17,22H,2-3,13-14,16,18H2,1H3,(H,32,36)(H,30,31,33);3-11,14,16,21H,2,12-13,15,17H2,1H3,(H,31,35)(H,29,30,32);4-7,10-13,16,19H,2-3,8-9,14-15H2,1H3,(H,28,29,30);3-11,14-15,20H,2,12-13,16H2,1H3,(H,30,34)(H,28,29,31)
• InChIKey: HNUZQKFBZGLRGV-UHFFFAOYSA-N
• XLogP: 18.99
• TPSA: 354.06 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 33
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1899.19
LogP ≤ 5	18.99
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-(cyclopropylmethyl)-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-[[3-[2-(ethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-[[2-(4-fluorophenyl)-3-[2-(propylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide?

The IUPAC name of N-[[3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-(cyclopropylmethyl)-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-[[3-[2-(ethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-[[2-(4-fluorophenyl)-3-[2-(propylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide (CID 158534891) is N-[[3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-(cyclopropylmethyl)-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-[[3-[2-(ethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-[[2-(4-fluorophenyl)-3-[2-(propylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide.

What is the SMILES notation for N-[[3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-(cyclopropylmethyl)-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-[[3-[2-(ethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-[[2-(4-fluorophenyl)-3-[2-(propylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide?

The canonical SMILES for N-[[3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-(cyclopropylmethyl)-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-[[3-[2-(ethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-[[2-(4-fluorophenyl)-3-[2-(propylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide is CCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(CNC(=O)c2ccccc2)CC3)n1.CCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(CNC(=O)c2ccccc2)CC3)n1.CCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(CNC(=O)c2ccccc2)CC3)n1.COc1ccc(OCC2CCc3nc(-c4ccc(F)cc4)c(-c4ccnc(NCC5CC5)n4)n32)nn1.

What is the InChIKey of N-[[3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-(cyclopropylmethyl)-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-[[3-[2-(ethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-[[2-(4-fluorophenyl)-3-[2-(propylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide?

The InChIKey is HNUZQKFBZGLRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN6O.C27H27FN6O.C26H26FN7O2.C26H25FN6O/c1-2-3-16-30-28-31-17-15-23(33-28)26-25(19-9-11-21(29)12-10-19)34-24-14-13-22(35(24)26)18-32-27(36)20-7-5-4-6-8-20;1-2-15-29-27-30-16-14-22(32-27)25-24(18-8-10-20(28)11-9-18)33-23-13-12-21(34(23)25)17-31-26(35)19-6-4-3-5-7-19;1-35-22-10-11-23(33-32-22)36-15-19-8-9-21-31-24(17-4-6-18(27)7-5-17)25(34(19)21)20-12-13-28-26(30-20)29-14-16-2-3-16;1-2-28-26-29-15-14-21(31-26)24-23(17-8-10-19(27)11-9-17)32-22-13-12-20(33(22)24)16-30-25(34)18-6-4-3-5-7-18/h4-12,15,17,22H,2-3,13-14,16,18H2,1H3,(H,32,36)(H,30,31,33);3-11,14,16,21H,2,12-13,15,17H2,1H3,(H,31,35)(H,29,30,32);4-7,10-13,16,19H,2-3,8-9,14-15H2,1H3,(H,28,29,30);3-11,14-15,20H,2,12-13,16H2,1H3,(H,30,34)(H,28,29,31).

What are the key properties of N-[[3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-(cyclopropylmethyl)-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-[[3-[2-(ethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-[[2-(4-fluorophenyl)-3-[2-(propylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide?

N-[[3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-(cyclopropylmethyl)-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-[[3-[2-(ethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-[[2-(4-fluorophenyl)-3-[2-(propylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide has a molecular weight of 1899.19 g/mol, XLogP of 18.99, 33 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-(cyclopropylmethyl)-4-[2-(4-fluorophenyl)-5-[(6-methoxypyridazin-3-yl)oxymethyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-[[3-[2-(ethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide;N-[[2-(4-fluorophenyl)-3-[2-(propylamino)pyrimidin-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]benzamide is sourced from PubChem (CID 158534891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).