4-cyclopropyl-5-(5-fluoro-2-pyridinyl)-5-methyl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one

C25H19F6N7O — CID 135204109

About 4-cyclopropyl-5-(5-fluoro-2-pyridinyl)-5-methyl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one

4-cyclopropyl-5-(5-fluoro-2-pyridinyl)-5-methyl-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 135204109) has the molecular formula C25H19F6N7O and a molecular weight of 547.46 g/mol. Its IUPAC name is 4-cyclopropyl-5-(5-fluoro-2-pyridinyl)-5-methyl-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-cyclopropyl-5-(5-fluoro-2-pyridinyl)-5-methyl-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: 135204109
• Molecular Formula: C25H19F6N7O
• Molecular Weight: 547.46 g/mol
• Exact Mass: 547.16
• IUPAC Name: 4-cyclopropyl-5-(5-fluoro-2-pyridinyl)-5-methyl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: CC1(c2ccc(F)cn2)C(=O)Nc2nc(-c3cn4ccnc4c(CCC(F)(F)C(F)(F)F)n3)nc(C3CC3)c21
• InChI: InChI=1S/C25H19F6N7O/c1-23(16-5-4-13(26)10-33-16)17-18(12-2-3-12)35-19(36-20(17)37-22(23)39)15-11-38-9-8-32-21(38)14(34-15)6-7-24(27,28)25(29,30)31/h4-5,8-12H,2-3,6-7H2,1H3,(H,35,36,37,39)
• InChIKey: LOUZDPZCEFQEOG-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 97.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.46
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	1
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-cyclopropyl-5-(5-fluoro-2-pyridinyl)-5-methyl-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-cyclopropyl-5-(5-fluoro-2-pyridinyl)-5-methyl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 135204109) is 4-cyclopropyl-5-(5-fluoro-2-pyridinyl)-5-methyl-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-cyclopropyl-5-(5-fluoro-2-pyridinyl)-5-methyl-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-cyclopropyl-5-(5-fluoro-2-pyridinyl)-5-methyl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one is CC1(c2ccc(F)cn2)C(=O)Nc2nc(-c3cn4ccnc4c(CCC(F)(F)C(F)(F)F)n3)nc(C3CC3)c21.

What is the InChIKey of 4-cyclopropyl-5-(5-fluoro-2-pyridinyl)-5-methyl-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 LOUZDPZCEFQEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F6N7O/c1-23(16-5-4-13(26)10-33-16)17-18(12-2-3-12)35-19(36-20(17)37-22(23)39)15-11-38-9-8-32-21(38)14(34-15)6-7-24(27,28)25(29,30)31/h4-5,8-12H,2-3,6-7H2,1H3,(H,35,36,37,39).

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

4-cyclopropyl-5-(5-fluoro-2-pyridinyl)-5-methyl-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 547.46 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopropyl-5-(5-fluoro-2-pyridinyl)-5-methyl-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 135204109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).