4-amino-5-(4-chlorophenyl)-5-ethyl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one

C24H19ClF5N7O — CID 118567142

About 4-amino-5-(4-chlorophenyl)-5-ethyl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one

4-amino-5-(4-chlorophenyl)-5-ethyl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 118567142) has the molecular formula C24H19ClF5N7O and a molecular weight of 551.91 g/mol. Its IUPAC name is 4-amino-5-(4-chlorophenyl)-5-ethyl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 4-amino-5-(4-chlorophenyl)-5-ethyl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 118567142
• Molecular Formula: C24H19ClF5N7O
• Molecular Weight: 551.91 g/mol
• Exact Mass: 551.13
• IUPAC Name: 4-amino-5-(4-chlorophenyl)-5-ethyl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: CCC1(c2ccc(Cl)cc2)C(=O)Nc2nc(-c3cn4ccnc4c(CCC(F)(F)C(F)(F)F)n3)nc(N)c21
• InChI: InChI=1S/C24H19ClF5N7O/c1-2-22(12-3-5-13(25)6-4-12)16-17(31)34-18(35-19(16)36-21(22)38)15-11-37-10-9-32-20(37)14(33-15)7-8-23(26,27)24(28,29)30/h3-6,9-11H,2,7-8H2,1H3,(H3,31,34,35,36,38)
• InChIKey: OKLNFJUNVJSALX-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 111.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.91
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(4-chlorophenyl)-5-ethyl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of 4-amino-5-(4-chlorophenyl)-5-ethyl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 118567142) is 4-amino-5-(4-chlorophenyl)-5-ethyl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 4-amino-5-(4-chlorophenyl)-5-ethyl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for 4-amino-5-(4-chlorophenyl)-5-ethyl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one is CCC1(c2ccc(Cl)cc2)C(=O)Nc2nc(-c3cn4ccnc4c(CCC(F)(F)C(F)(F)F)n3)nc(N)c21.

What is the InChIKey of 4-amino-5-(4-chlorophenyl)-5-ethyl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is OKLNFJUNVJSALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF5N7O/c1-2-22(12-3-5-13(25)6-4-12)16-17(31)34-18(35-19(16)36-21(22)38)15-11-37-10-9-32-20(37)14(33-15)7-8-23(26,27)24(28,29)30/h3-6,9-11H,2,7-8H2,1H3,(H3,31,34,35,36,38).

What are the key properties of 4-amino-5-(4-chlorophenyl)-5-ethyl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one?

4-amino-5-(4-chlorophenyl)-5-ethyl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 551.91 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-5-(4-chlorophenyl)-5-ethyl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 118567142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).