4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-cyclobutylpyrimidin-2-amine;4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-cyclopropylpyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine

C96H98F4N22O2 — CID 158400120

About 4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-cyclobutylpyrimidin-2-amine;4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-cyclopropylpyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine

4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-cyclobutylpyrimidin-2-amine;4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-cyclopropylpyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine (PubChem CID 158400120) has the molecular formula C96H98F4N22O2 and a molecular weight of 1667.98 g/mol. Its IUPAC name is 4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-cyclobutylpyrimidin-2-amine;4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-cyclopropylpyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-cyclobutylpyrimidin-2-amine;4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-cyclopropylpyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine
• PubChem CID: 158400120
• Molecular Formula: C96H98F4N22O2
• Molecular Weight: 1667.98 g/mol
• Exact Mass: 1666.82
• IUPAC Name: 4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-cyclobutylpyrimidin-2-amine;4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-cyclopropylpyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine
• SMILES: CCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(/C=C/c2ccco2)CC3)n1.CCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(/C=C/c2ccco2)CC3)n1.Fc1ccc(-c2nc3n(c2-c2ccnc(NC4CC4)n2)C(CN2CCC2)CC3)cc1.Fc1ccc(-c2nc3n(c2-c2ccnc(NC4CCC4)n2)C(CN2CCC2)CC3)cc1
• InChI: InChI=1S/C25H24FN5O.C24H27FN6.C24H22FN5O.C23H25FN6/c1-2-14-27-25-28-15-13-21(29-25)24-23(17-5-7-18(26)8-6-17)30-22-12-10-19(31(22)24)9-11-20-4-3-16-32-20;25-17-7-5-16(6-8-17)22-23(20-11-12-26-24(28-20)27-18-3-1-4-18)31-19(9-10-21(31)29-22)15-30-13-2-14-30;1-2-26-24-27-14-13-20(28-24)23-22(16-5-7-17(25)8-6-16)29-21-12-10-18(30(21)23)9-11-19-4-3-15-31-19;24-16-4-2-15(3-5-16)21-22(19-10-11-25-23(27-19)26-17-6-7-17)30-18(8-9-20(30)28-21)14-29-12-1-13-29/h3-9,11,13,15-16,19H,2,10,12,14H2,1H3,(H,27,28,29);5-8,11-12,18-19H,1-4,9-10,13-15H2,(H,26,27,28);3-9,11,13-15,18H,2,10,12H2,1H3,(H,26,27,28);2-5,10-11,17-18H,1,6-9,12-14H2,(H,25,26,27)/b11-9+;;11-9+
• InChIKey: GXZPRMLSPKRJBX-UAFOEGGISA-N
• XLogP: 19.35
• TPSA: 255.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 25
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1667.98
LogP ≤ 5	19.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-cyclobutylpyrimidin-2-amine;4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-cyclopropylpyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine?

The IUPAC name of 4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-cyclobutylpyrimidin-2-amine;4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-cyclopropylpyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine (CID 158400120) is 4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-cyclobutylpyrimidin-2-amine;4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-cyclopropylpyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine.

What is the SMILES notation for 4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-cyclobutylpyrimidin-2-amine;4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-cyclopropylpyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine?

The canonical SMILES for 4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-cyclobutylpyrimidin-2-amine;4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-cyclopropylpyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine is CCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(/C=C/c2ccco2)CC3)n1.CCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(/C=C/c2ccco2)CC3)n1.Fc1ccc(-c2nc3n(c2-c2ccnc(NC4CC4)n2)C(CN2CCC2)CC3)cc1.Fc1ccc(-c2nc3n(c2-c2ccnc(NC4CCC4)n2)C(CN2CCC2)CC3)cc1.

What is the InChIKey of 4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-cyclobutylpyrimidin-2-amine;4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-cyclopropylpyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine?

The InChIKey is GXZPRMLSPKRJBX-UAFOEGGISA-N. The full InChI is InChI=1S/C25H24FN5O.C24H27FN6.C24H22FN5O.C23H25FN6/c1-2-14-27-25-28-15-13-21(29-25)24-23(17-5-7-18(26)8-6-17)30-22-12-10-19(31(22)24)9-11-20-4-3-16-32-20;25-17-7-5-16(6-8-17)22-23(20-11-12-26-24(28-20)27-18-3-1-4-18)31-19(9-10-21(31)29-22)15-30-13-2-14-30;1-2-26-24-27-14-13-20(28-24)23-22(16-5-7-17(25)8-6-16)29-21-12-10-18(30(21)23)9-11-19-4-3-15-31-19;24-16-4-2-15(3-5-16)21-22(19-10-11-25-23(27-19)26-17-6-7-17)30-18(8-9-20(30)28-21)14-29-12-1-13-29/h3-9,11,13,15-16,19H,2,10,12,14H2,1H3,(H,27,28,29);5-8,11-12,18-19H,1-4,9-10,13-15H2,(H,26,27,28);3-9,11,13-15,18H,2,10,12H2,1H3,(H,26,27,28);2-5,10-11,17-18H,1,6-9,12-14H2,(H,25,26,27)/b11-9+;;11-9+;.

What are the key properties of 4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-cyclobutylpyrimidin-2-amine;4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-cyclopropylpyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine?

4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-cyclobutylpyrimidin-2-amine;4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-cyclopropylpyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine has a molecular weight of 1667.98 g/mol, XLogP of 19.35, 25 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-cyclobutylpyrimidin-2-amine;4-[5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-cyclopropylpyrimidin-2-amine;N-ethyl-4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[2-(4-fluorophenyl)-5-[(E)-2-(furan-2-yl)ethenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 158400120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).