2-[3-(fluoromethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine

C56H57F6N13O2 — CID 118975974

About 2-[3-(fluoromethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine

2-[3-(fluoromethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine (PubChem CID 118975974) has the molecular formula C56H57F6N13O2 and a molecular weight of 1058.15 g/mol. Its IUPAC name is 2-[3-(fluoromethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

• Compound Name: 2-[3-(fluoromethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
• PubChem CID: 118975974
• Molecular Formula: C56H57F6N13O2
• Molecular Weight: 1058.15 g/mol
• Exact Mass: 1057.47
• IUPAC Name: 2-[3-(fluoromethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
• SMILES: FC1CCN(c2ccn3cc(-c4ccc(N5CCCC5)cc4)nc3n2)CC1.FC1CCN(c2ccn3cc(-c4cccc(OC(F)(F)F)c4)nc3n2)CC1.FCOc1cccc(-c2cn3ccc(N4CCCC4)nc3n2)c1
• InChI: InChI=1S/C21H24FN5.C18H16F4N4O.C17H17FN4O/c22-17-7-12-26(13-8-17)20-9-14-27-15-19(23-21(27)24-20)16-3-5-18(6-4-16)25-10-1-2-11-25;19-13-4-7-25(8-5-13)16-6-9-26-11-15(23-17(26)24-16)12-2-1-3-14(10-12)27-18(20,21)22;18-12-23-14-5-3-4-13(10-14)15-11-22-9-6-16(20-17(22)19-15)21-7-1-2-8-21/h3-6,9,14-15,17H,1-2,7-8,10-13H2;1-3,6,9-11,13H,4-5,7-8H2;3-6,9-11H,1-2,7-8,12H2
• InChIKey: SRNRFJZBSGMEOA-UHFFFAOYSA-N
• XLogP: 11.47
• TPSA: 121.99 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1058.15
LogP ≤ 5	11.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-[3-(fluoromethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine?

The IUPAC name of 2-[3-(fluoromethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine (CID 118975974) is 2-[3-(fluoromethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine.

What is the SMILES notation for 2-[3-(fluoromethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine?

The canonical SMILES for 2-[3-(fluoromethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine is FC1CCN(c2ccn3cc(-c4ccc(N5CCCC5)cc4)nc3n2)CC1.FC1CCN(c2ccn3cc(-c4cccc(OC(F)(F)F)c4)nc3n2)CC1.FCOc1cccc(-c2cn3ccc(N4CCCC4)nc3n2)c1.

What is the InChIKey of 2-[3-(fluoromethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine?

The InChIKey is SRNRFJZBSGMEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5.C18H16F4N4O.C17H17FN4O/c22-17-7-12-26(13-8-17)20-9-14-27-15-19(23-21(27)24-20)16-3-5-18(6-4-16)25-10-1-2-11-25;19-13-4-7-25(8-5-13)16-6-9-26-11-15(23-17(26)24-16)12-2-1-3-14(10-12)27-18(20,21)22;18-12-23-14-5-3-4-13(10-14)15-11-22-9-6-16(20-17(22)19-15)21-7-1-2-8-21/h3-6,9,14-15,17H,1-2,7-8,10-13H2;1-3,6,9-11,13H,4-5,7-8H2;3-6,9-11H,1-2,7-8,12H2.

What are the key properties of 2-[3-(fluoromethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine?

2-[3-(fluoromethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine has a molecular weight of 1058.15 g/mol, XLogP of 11.47, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(fluoromethoxy)phenyl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 118975974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).