4-[[4-fluoro-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one

C25H20FN7O3 — CID 129261558

IUPAC4-[[4-fluoro-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
SMILESCc1nnc(-c2cnc3n2CCN(C(=O)c2cc(Cc4n[nH]c(=O)c5ccccc45)ccc2F)C3)o1
InChIInChI=1S/C25H20FN7O3/c1-14-28-31-24(36-14)21-12-27-22-13-32(8-9-33(21)22)25(35)18-10-15(6-7-19(18)26)11-20-16-4-2-3-5-17(16)23(34)30-29-20/h2-7,10,12H,8-9,11,13H2,1H3,(H,30,34)
InChIKeyLOBUBGICJJJCMR-UHFFFAOYSA-N
MW485.48 g/mol
LogP2.86
Rot. Bonds4

About 4-[[4-fluoro-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one

4-[[4-fluoro-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one (PubChem CID 129261558) has the molecular formula C25H20FN7O3 and a molecular weight of 485.48 g/mol. Its IUPAC name is 4-[[4-fluoro-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[[4-fluoro-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
PubChem CID129261558
Molecular FormulaC25H20FN7O3
Molecular Weight485.48 g/mol
Exact Mass485.16
IUPAC Name4-[[4-fluoro-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
SMILESCc1nnc(-c2cnc3n2CCN(C(=O)c2cc(Cc4n[nH]c(=O)c5ccccc45)ccc2F)C3)o1
InChIInChI=1S/C25H20FN7O3/c1-14-28-31-24(36-14)21-12-27-22-13-32(8-9-33(21)22)25(35)18-10-15(6-7-19(18)26)11-20-16-4-2-3-5-17(16)23(34)30-29-20/h2-7,10,12H,8-9,11,13H2,1H3,(H,30,34)
InChIKeyLOBUBGICJJJCMR-UHFFFAOYSA-N
XLogP2.86
TPSA122.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[[4-fluoro-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-fluoro-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[[4-fluoro-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one (CID 129261558) is 4-[[4-fluoro-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[[4-fluoro-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[[4-fluoro-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one is Cc1nnc(-c2cnc3n2CCN(C(=O)c2cc(Cc4n[nH]c(=O)c5ccccc45)ccc2F)C3)o1.
What is the InChIKey of 4-[[4-fluoro-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one?
The InChIKey is LOBUBGICJJJCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN7O3/c1-14-28-31-24(36-14)21-12-27-22-13-32(8-9-33(21)22)25(35)18-10-15(6-7-19(18)26)11-20-16-4-2-3-5-17(16)23(34)30-29-20/h2-7,10,12H,8-9,11,13H2,1H3,(H,30,34).
What are the key properties of 4-[[4-fluoro-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one?
4-[[4-fluoro-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one has a molecular weight of 485.48 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-fluoro-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one is sourced from PubChem (CID 129261558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).