2-(2-aminopyrimidin-4-yl)-5-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydropyrrolo[3,2-c]pyridin-4-one;2-(2-iodopyrimidin-4-yl)-5-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydropyrrolo[3,2-c]pyridin-4-one

C28H26F6IN9O2 — CID 160545166

About 2-(2-aminopyrimidin-4-yl)-5-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydropyrrolo[3,2-c]pyridin-4-one;2-(2-iodopyrimidin-4-yl)-5-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydropyrrolo[3,2-c]pyridin-4-one

2-(2-aminopyrimidin-4-yl)-5-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydropyrrolo[3,2-c]pyridin-4-one;2-(2-iodopyrimidin-4-yl)-5-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 160545166) has the molecular formula C28H26F6IN9O2 and a molecular weight of 761.47 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)-5-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydropyrrolo[3,2-c]pyridin-4-one;2-(2-iodopyrimidin-4-yl)-5-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

• Compound Name: 2-(2-aminopyrimidin-4-yl)-5-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydropyrrolo[3,2-c]pyridin-4-one;2-(2-iodopyrimidin-4-yl)-5-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydropyrrolo[3,2-c]pyridin-4-one
• PubChem CID: 160545166
• Molecular Formula: C28H26F6IN9O2
• Molecular Weight: 761.47 g/mol
• Exact Mass: 761.12
• IUPAC Name: 2-(2-aminopyrimidin-4-yl)-5-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydropyrrolo[3,2-c]pyridin-4-one;2-(2-iodopyrimidin-4-yl)-5-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydropyrrolo[3,2-c]pyridin-4-one
• SMILES: CN1CCc2c(cc(-c3ccnc(I)n3)n2CC(F)(F)F)C1=O.CN1CCc2c(cc(-c3ccnc(N)n3)n2CC(F)(F)F)C1=O
• InChI: InChI=1S/C14H12F3IN4O.C14H14F3N5O/c2*1-21-5-3-10-8(12(21)23)6-11(22(10)7-14(15,16)17)9-2-4-19-13(18)20-9/h2,4,6H,3,5,7H2,1H3;2,4,6H,3,5,7H2,1H3,(H2,18,19,20)
• InChIKey: QXICRQPVUVEJGF-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 128.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	761.47
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-4-yl)-5-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydropyrrolo[3,2-c]pyridin-4-one;2-(2-iodopyrimidin-4-yl)-5-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydropyrrolo[3,2-c]pyridin-4-one?

The IUPAC name of 2-(2-aminopyrimidin-4-yl)-5-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydropyrrolo[3,2-c]pyridin-4-one;2-(2-iodopyrimidin-4-yl)-5-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydropyrrolo[3,2-c]pyridin-4-one (CID 160545166) is 2-(2-aminopyrimidin-4-yl)-5-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydropyrrolo[3,2-c]pyridin-4-one;2-(2-iodopyrimidin-4-yl)-5-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydropyrrolo[3,2-c]pyridin-4-one.

What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)-5-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydropyrrolo[3,2-c]pyridin-4-one;2-(2-iodopyrimidin-4-yl)-5-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydropyrrolo[3,2-c]pyridin-4-one?

The canonical SMILES for 2-(2-aminopyrimidin-4-yl)-5-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydropyrrolo[3,2-c]pyridin-4-one;2-(2-iodopyrimidin-4-yl)-5-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydropyrrolo[3,2-c]pyridin-4-one is CN1CCc2c(cc(-c3ccnc(I)n3)n2CC(F)(F)F)C1=O.CN1CCc2c(cc(-c3ccnc(N)n3)n2CC(F)(F)F)C1=O.

What is the InChIKey of 2-(2-aminopyrimidin-4-yl)-5-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydropyrrolo[3,2-c]pyridin-4-one;2-(2-iodopyrimidin-4-yl)-5-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydropyrrolo[3,2-c]pyridin-4-one?

The InChIKey is QXICRQPVUVEJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3IN4O.C14H14F3N5O/c2*1-21-5-3-10-8(12(21)23)6-11(22(10)7-14(15,16)17)9-2-4-19-13(18)20-9/h2,4,6H,3,5,7H2,1H3;2,4,6H,3,5,7H2,1H3,(H2,18,19,20).

What are the key properties of 2-(2-aminopyrimidin-4-yl)-5-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydropyrrolo[3,2-c]pyridin-4-one;2-(2-iodopyrimidin-4-yl)-5-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydropyrrolo[3,2-c]pyridin-4-one?

2-(2-aminopyrimidin-4-yl)-5-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydropyrrolo[3,2-c]pyridin-4-one;2-(2-iodopyrimidin-4-yl)-5-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 761.47 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-aminopyrimidin-4-yl)-5-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydropyrrolo[3,2-c]pyridin-4-one;2-(2-iodopyrimidin-4-yl)-5-methyl-1-(2,2,2-trifluoroethyl)-6,7-dihydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 160545166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).