1-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-methylbutan-1-one

C23H24F2N4O2 — CID 58179340

IUPAC1-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-methylbutan-1-one
SMILESCC(C)(O)CC(=O)N1CCn2c(nc(-c3cccc(F)c3)c2Nc2ccc(F)cc2)C1
InChIInChI=1S/C23H24F2N4O2/c1-23(2,31)13-20(30)28-10-11-29-19(14-28)27-21(15-4-3-5-17(25)12-15)22(29)26-18-8-6-16(24)7-9-18/h3-9,12,26,31H,10-11,13-14H2,1-2H3
InChIKeyDFWGKRWRUPPFFV-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.08
Rot. Bonds5

About 1-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-methylbutan-1-one

1-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-methylbutan-1-one (PubChem CID 58179340) has the molecular formula C23H24F2N4O2 and a molecular weight of 426.47 g/mol. Its IUPAC name is 1-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-methylbutan-1-one
PubChem CID58179340
Molecular FormulaC23H24F2N4O2
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name1-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-methylbutan-1-one
SMILESCC(C)(O)CC(=O)N1CCn2c(nc(-c3cccc(F)c3)c2Nc2ccc(F)cc2)C1
InChIInChI=1S/C23H24F2N4O2/c1-23(2,31)13-20(30)28-10-11-29-19(14-28)27-21(15-4-3-5-17(25)12-15)22(29)26-18-8-6-16(24)7-9-18/h3-9,12,26,31H,10-11,13-14H2,1-2H3
InChIKeyDFWGKRWRUPPFFV-UHFFFAOYSA-N
XLogP4.08
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-methylbutan-1-one?
The IUPAC name of 1-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-methylbutan-1-one (CID 58179340) is 1-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-methylbutan-1-one.
What is the SMILES notation for 1-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-methylbutan-1-one?
The canonical SMILES for 1-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-methylbutan-1-one is CC(C)(O)CC(=O)N1CCn2c(nc(-c3cccc(F)c3)c2Nc2ccc(F)cc2)C1.
What is the InChIKey of 1-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-methylbutan-1-one?
The InChIKey is DFWGKRWRUPPFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O2/c1-23(2,31)13-20(30)28-10-11-29-19(14-28)27-21(15-4-3-5-17(25)12-15)22(29)26-18-8-6-16(24)7-9-18/h3-9,12,26,31H,10-11,13-14H2,1-2H3.
What are the key properties of 1-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-methylbutan-1-one?
1-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-methylbutan-1-one has a molecular weight of 426.47 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluoroanilino)-2-(3-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-hydroxy-3-methylbutan-1-one is sourced from PubChem (CID 58179340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).