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

C26H22F6N8O2 — CID 118567026

IUPAC5-(5-fluoro-2-pyridinyl)-5-methyl-4-morpholin-4-yl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1(c2ccc(F)cn2)C(=O)Nc2nc(-c3cn4ccnc4c(CCC(F)(F)C(F)(F)F)n3)nc(N3CCOCC3)c21
InChIInChI=1S/C26H22F6N8O2/c1-24(17-3-2-14(27)12-34-17)18-20(38-23(24)41)36-19(37-22(18)39-8-10-42-11-9-39)16-13-40-7-6-33-21(40)15(35-16)4-5-25(28,29)26(30,31)32/h2-3,6-7,12-13H,4-5,8-11H2,1H3,(H,36,37,38,41)
InChIKeyDHUVGSWLTLIIPF-UHFFFAOYSA-N
MW592.50 g/mol
LogP3.95
Rot. Bonds6

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

5-(5-fluoro-2-pyridinyl)-5-methyl-4-morpholin-4-yl-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 118567026) has the molecular formula C26H22F6N8O2 and a molecular weight of 592.50 g/mol. Its IUPAC name is 5-(5-fluoro-2-pyridinyl)-5-methyl-4-morpholin-4-yl-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 Name5-(5-fluoro-2-pyridinyl)-5-methyl-4-morpholin-4-yl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID118567026
Molecular FormulaC26H22F6N8O2
Molecular Weight592.50 g/mol
Exact Mass592.18
IUPAC Name5-(5-fluoro-2-pyridinyl)-5-methyl-4-morpholin-4-yl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1(c2ccc(F)cn2)C(=O)Nc2nc(-c3cn4ccnc4c(CCC(F)(F)C(F)(F)F)n3)nc(N3CCOCC3)c21
InChIInChI=1S/C26H22F6N8O2/c1-24(17-3-2-14(27)12-34-17)18-20(38-23(24)41)36-19(37-22(18)39-8-10-42-11-9-39)16-13-40-7-6-33-21(40)15(35-16)4-5-25(28,29)26(30,31)32/h2-3,6-7,12-13H,4-5,8-11H2,1H3,(H,36,37,38,41)
InChIKeyDHUVGSWLTLIIPF-UHFFFAOYSA-N
XLogP3.95
TPSA110.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-pyridinyl)-5-methyl-4-morpholin-4-yl-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 5-(5-fluoro-2-pyridinyl)-5-methyl-4-morpholin-4-yl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 118567026) is 5-(5-fluoro-2-pyridinyl)-5-methyl-4-morpholin-4-yl-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 5-(5-fluoro-2-pyridinyl)-5-methyl-4-morpholin-4-yl-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 5-(5-fluoro-2-pyridinyl)-5-methyl-4-morpholin-4-yl-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(N3CCOCC3)c21.
What is the InChIKey of 5-(5-fluoro-2-pyridinyl)-5-methyl-4-morpholin-4-yl-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 DHUVGSWLTLIIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F6N8O2/c1-24(17-3-2-14(27)12-34-17)18-20(38-23(24)41)36-19(37-22(18)39-8-10-42-11-9-39)16-13-40-7-6-33-21(40)15(35-16)4-5-25(28,29)26(30,31)32/h2-3,6-7,12-13H,4-5,8-11H2,1H3,(H,36,37,38,41).
What are the key properties of 5-(5-fluoro-2-pyridinyl)-5-methyl-4-morpholin-4-yl-2-[8-(3,3,4,4,4-pentafluorobutyl)imidazo[1,2-a]pyrazin-6-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one?
5-(5-fluoro-2-pyridinyl)-5-methyl-4-morpholin-4-yl-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 592.50 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-pyridinyl)-5-methyl-4-morpholin-4-yl-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 118567026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).