1-[7-[(2-chloro-4-cyclopropylphenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone;1-[8-chloro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone;1-[7-[(4-cyclopropyl-2-fluorophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2R)-2,3-dihydroxypropoxy]ethanone;1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone;1-[7-[(2-fluoro-4-iodophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-(1-hydroxy-2-methylpropan-2-yl)oxyethanone;1-[7-[(2-fluoro-4-iodophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone

C117H112Cl2F6I4N14O19 — CID 157312148

About 1-[7-[(2-chloro-4-cyclopropylphenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone;1-[8-chloro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone;1-[7-[(4-cyclopropyl-2-fluorophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2R)-2,3-dihydroxypropoxy]ethanone;1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone;1-[7-[(2-fluoro-4-iodophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-(1-hydroxy-2-methylpropan-2-yl)oxyethanone;1-[7-[(2-fluoro-4-iodophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone

1-[7-[(2-chloro-4-cyclopropylphenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone;1-[8-chloro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone;1-[7-[(4-cyclopropyl-2-fluorophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2R)-2,3-dihydroxypropoxy]ethanone;1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone;1-[7-[(2-fluoro-4-iodophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-(1-hydroxy-2-methylpropan-2-yl)oxyethanone;1-[7-[(2-fluoro-4-iodophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone (PubChem CID 157312148) has the molecular formula C117H112Cl2F6I4N14O19 and a molecular weight of 2710.77 g/mol. Its IUPAC name is 1-[7-[(2-chloro-4-cyclopropylphenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone;1-[8-chloro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone;1-[7-[(4-cyclopropyl-2-fluorophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2R)-2,3-dihydroxypropoxy]ethanone;1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone;1-[7-[(2-fluoro-4-iodophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-(1-hydroxy-2-methylpropan-2-yl)oxyethanone;1-[7-[(2-fluoro-4-iodophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone.

Molecular Properties

• Compound Name: 1-[7-[(2-chloro-4-cyclopropylphenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone;1-[8-chloro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone;1-[7-[(4-cyclopropyl-2-fluorophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2R)-2,3-dihydroxypropoxy]ethanone;1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone;1-[7-[(2-fluoro-4-iodophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-(1-hydroxy-2-methylpropan-2-yl)oxyethanone;1-[7-[(2-fluoro-4-iodophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone
• PubChem CID: 157312148
• Molecular Formula: C117H112Cl2F6I4N14O19
• Molecular Weight: 2710.77 g/mol
• Exact Mass: 2708.37
• IUPAC Name: 1-[7-[(2-chloro-4-cyclopropylphenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone;1-[8-chloro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone;1-[7-[(4-cyclopropyl-2-fluorophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2R)-2,3-dihydroxypropoxy]ethanone;1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone;1-[7-[(2-fluoro-4-iodophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-(1-hydroxy-2-methylpropan-2-yl)oxyethanone;1-[7-[(2-fluoro-4-iodophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone
• SMILES: CC(C)(CO)OCC(=O)c1cc2ccncn2c1Cc1ccc(I)cc1F.C[C@H](O)COCC(=O)c1cc2ccncn2c1Cc1ccc(C2CC2)cc1Cl.C[C@H](O)COCC(=O)c1cc2ccncn2c1Cc1ccc(I)cc1F.O=C(COCCO)c1nc2c(Cl)cncn2c1Cc1ccc(I)cc1F.O=C(COCCO)c1nc2c(F)cncn2c1Cc1ccc(I)cc1F.O=C(COC[C@H](O)CO)c1cc2ccncn2c1Cc1ccc(C2CC2)cc1F
• InChI: InChI=1S/C22H23ClN2O3.C22H23FN2O4.C20H20FIN2O3.C19H18FIN2O3.C17H14ClFIN3O3.C17H14F2IN3O3/c1-14(26)11-28-12-22(27)19-10-18-6-7-24-13-25(18)21(19)9-17-5-4-16(8-20(17)23)15-2-3-15;23-20-7-15(14-1-2-14)3-4-16(20)8-21-19(9-17-5-6-24-13-25(17)21)22(28)12-29-11-18(27)10-26;1-20(2,11-25)27-10-19(26)16-9-15-5-6-23-12-24(15)18(16)7-13-3-4-14(22)8-17(13)21;1-12(24)9-26-10-19(25)16-8-15-4-5-22-11-23(15)18(16)6-13-2-3-14(21)7-17(13)20;18-12-7-21-9-23-14(5-10-1-2-11(20)6-13(10)19)16(22-17(12)23)15(25)8-26-4-3-24;18-12-6-11(20)2-1-10(12)5-14-16(15(25)8-26-4-3-24)22-17-13(19)7-21-9-23(14)17/h4-8,10,13-15,26H,2-3,9,11-12H2,1H3;3-7,9,13-14,18,26-27H,1-2,8,10-12H2;3-6,8-9,12,25H,7,10-11H2,1-2H3;2-5,7-8,11-12,24H,6,9-10H2,1H3;2*1-2,6-7,9,24H,3-5,8H2/t14-;18-;;12-;;/m01.0../s1
• InChIKey: BDDVDZHAIKGDTI-ZTUISOKBSA-N
• XLogP: 18.72
• TPSA: 428.99 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 45
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2710.77
LogP ≤ 5	18.72
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[7-[(2-chloro-4-cyclopropylphenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone;1-[8-chloro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone;1-[7-[(4-cyclopropyl-2-fluorophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2R)-2,3-dihydroxypropoxy]ethanone;1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone;1-[7-[(2-fluoro-4-iodophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-(1-hydroxy-2-methylpropan-2-yl)oxyethanone;1-[7-[(2-fluoro-4-iodophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone?

The IUPAC name of 1-[7-[(2-chloro-4-cyclopropylphenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone;1-[8-chloro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone;1-[7-[(4-cyclopropyl-2-fluorophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2R)-2,3-dihydroxypropoxy]ethanone;1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone;1-[7-[(2-fluoro-4-iodophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-(1-hydroxy-2-methylpropan-2-yl)oxyethanone;1-[7-[(2-fluoro-4-iodophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone (CID 157312148) is 1-[7-[(2-chloro-4-cyclopropylphenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone;1-[8-chloro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone;1-[7-[(4-cyclopropyl-2-fluorophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2R)-2,3-dihydroxypropoxy]ethanone;1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone;1-[7-[(2-fluoro-4-iodophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-(1-hydroxy-2-methylpropan-2-yl)oxyethanone;1-[7-[(2-fluoro-4-iodophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone.

What is the SMILES notation for 1-[7-[(2-chloro-4-cyclopropylphenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone;1-[8-chloro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone;1-[7-[(4-cyclopropyl-2-fluorophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2R)-2,3-dihydroxypropoxy]ethanone;1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone;1-[7-[(2-fluoro-4-iodophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-(1-hydroxy-2-methylpropan-2-yl)oxyethanone;1-[7-[(2-fluoro-4-iodophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone?

The canonical SMILES for 1-[7-[(2-chloro-4-cyclopropylphenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone;1-[8-chloro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone;1-[7-[(4-cyclopropyl-2-fluorophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2R)-2,3-dihydroxypropoxy]ethanone;1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone;1-[7-[(2-fluoro-4-iodophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-(1-hydroxy-2-methylpropan-2-yl)oxyethanone;1-[7-[(2-fluoro-4-iodophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone is CC(C)(CO)OCC(=O)c1cc2ccncn2c1Cc1ccc(I)cc1F.C[C@H](O)COCC(=O)c1cc2ccncn2c1Cc1ccc(C2CC2)cc1Cl.C[C@H](O)COCC(=O)c1cc2ccncn2c1Cc1ccc(I)cc1F.O=C(COCCO)c1nc2c(Cl)cncn2c1Cc1ccc(I)cc1F.O=C(COCCO)c1nc2c(F)cncn2c1Cc1ccc(I)cc1F.O=C(COC[C@H](O)CO)c1cc2ccncn2c1Cc1ccc(C2CC2)cc1F.

What is the InChIKey of 1-[7-[(2-chloro-4-cyclopropylphenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone;1-[8-chloro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone;1-[7-[(4-cyclopropyl-2-fluorophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2R)-2,3-dihydroxypropoxy]ethanone;1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone;1-[7-[(2-fluoro-4-iodophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-(1-hydroxy-2-methylpropan-2-yl)oxyethanone;1-[7-[(2-fluoro-4-iodophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone?

The InChIKey is BDDVDZHAIKGDTI-ZTUISOKBSA-N. The full InChI is InChI=1S/C22H23ClN2O3.C22H23FN2O4.C20H20FIN2O3.C19H18FIN2O3.C17H14ClFIN3O3.C17H14F2IN3O3/c1-14(26)11-28-12-22(27)19-10-18-6-7-24-13-25(18)21(19)9-17-5-4-16(8-20(17)23)15-2-3-15;23-20-7-15(14-1-2-14)3-4-16(20)8-21-19(9-17-5-6-24-13-25(17)21)22(28)12-29-11-18(27)10-26;1-20(2,11-25)27-10-19(26)16-9-15-5-6-23-12-24(15)18(16)7-13-3-4-14(22)8-17(13)21;1-12(24)9-26-10-19(25)16-8-15-4-5-22-11-23(15)18(16)6-13-2-3-14(21)7-17(13)20;18-12-7-21-9-23-14(5-10-1-2-11(20)6-13(10)19)16(22-17(12)23)15(25)8-26-4-3-24;18-12-6-11(20)2-1-10(12)5-14-16(15(25)8-26-4-3-24)22-17-13(19)7-21-9-23(14)17/h4-8,10,13-15,26H,2-3,9,11-12H2,1H3;3-7,9,13-14,18,26-27H,1-2,8,10-12H2;3-6,8-9,12,25H,7,10-11H2,1-2H3;2-5,7-8,11-12,24H,6,9-10H2,1H3;2*1-2,6-7,9,24H,3-5,8H2/t14-;18-;;12-;;/m01.0../s1.

What are the key properties of 1-[7-[(2-chloro-4-cyclopropylphenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone;1-[8-chloro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone;1-[7-[(4-cyclopropyl-2-fluorophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2R)-2,3-dihydroxypropoxy]ethanone;1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone;1-[7-[(2-fluoro-4-iodophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-(1-hydroxy-2-methylpropan-2-yl)oxyethanone;1-[7-[(2-fluoro-4-iodophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone?

1-[7-[(2-chloro-4-cyclopropylphenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone;1-[8-chloro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone;1-[7-[(4-cyclopropyl-2-fluorophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2R)-2,3-dihydroxypropoxy]ethanone;1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone;1-[7-[(2-fluoro-4-iodophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-(1-hydroxy-2-methylpropan-2-yl)oxyethanone;1-[7-[(2-fluoro-4-iodophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone has a molecular weight of 2710.77 g/mol, XLogP of 18.72, 45 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-[(2-chloro-4-cyclopropylphenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone;1-[8-chloro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone;1-[7-[(4-cyclopropyl-2-fluorophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2R)-2,3-dihydroxypropoxy]ethanone;1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone;1-[7-[(2-fluoro-4-iodophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-(1-hydroxy-2-methylpropan-2-yl)oxyethanone;1-[7-[(2-fluoro-4-iodophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone is sourced from PubChem (CID 157312148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).