7-fluoro-6-[2-[(1R)-1-hydroxyethyl]-1-methylimidazol-4-yl]-2-(2-methylphenyl)-4-propan-2-ylphthalazin-1-one

C24H25FN4O2 — CID 163200372

IUPAC7-fluoro-6-[2-[(1R)-1-hydroxyethyl]-1-methylimidazol-4-yl]-2-(2-methylphenyl)-4-propan-2-ylphthalazin-1-one
SMILESCc1ccccc1-n1nc(C(C)C)c2cc(-c3cn(C)c([C@@H](C)O)n3)c(F)cc2c1=O
InChIInChI=1S/C24H25FN4O2/c1-13(2)22-16-10-18(20-12-28(5)23(26-20)15(4)30)19(25)11-17(16)24(31)29(27-22)21-9-7-6-8-14(21)3/h6-13,15,30H,1-5H3/t15-/m1/s1
InChIKeyQRNWTLGPRHKLCS-OAHLLOKOSA-N
MW420.49 g/mol
LogP4.41
Rot. Bonds4

About 7-fluoro-6-[2-[(1R)-1-hydroxyethyl]-1-methylimidazol-4-yl]-2-(2-methylphenyl)-4-propan-2-ylphthalazin-1-one

7-fluoro-6-[2-[(1R)-1-hydroxyethyl]-1-methylimidazol-4-yl]-2-(2-methylphenyl)-4-propan-2-ylphthalazin-1-one (PubChem CID 163200372) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is 7-fluoro-6-[2-[(1R)-1-hydroxyethyl]-1-methylimidazol-4-yl]-2-(2-methylphenyl)-4-propan-2-ylphthalazin-1-one.

Molecular Properties

Compound Name7-fluoro-6-[2-[(1R)-1-hydroxyethyl]-1-methylimidazol-4-yl]-2-(2-methylphenyl)-4-propan-2-ylphthalazin-1-one
PubChem CID163200372
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC Name7-fluoro-6-[2-[(1R)-1-hydroxyethyl]-1-methylimidazol-4-yl]-2-(2-methylphenyl)-4-propan-2-ylphthalazin-1-one
SMILESCc1ccccc1-n1nc(C(C)C)c2cc(-c3cn(C)c([C@@H](C)O)n3)c(F)cc2c1=O
InChIInChI=1S/C24H25FN4O2/c1-13(2)22-16-10-18(20-12-28(5)23(26-20)15(4)30)19(25)11-17(16)24(31)29(27-22)21-9-7-6-8-14(21)3/h6-13,15,30H,1-5H3/t15-/m1/s1
InChIKeyQRNWTLGPRHKLCS-OAHLLOKOSA-N
XLogP4.41
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[2-[(1R)-1-hydroxyethyl]-1-methylimidazol-4-yl]-2-(2-methylphenyl)-4-propan-2-ylphthalazin-1-one?
The IUPAC name of 7-fluoro-6-[2-[(1R)-1-hydroxyethyl]-1-methylimidazol-4-yl]-2-(2-methylphenyl)-4-propan-2-ylphthalazin-1-one (CID 163200372) is 7-fluoro-6-[2-[(1R)-1-hydroxyethyl]-1-methylimidazol-4-yl]-2-(2-methylphenyl)-4-propan-2-ylphthalazin-1-one.
What is the SMILES notation for 7-fluoro-6-[2-[(1R)-1-hydroxyethyl]-1-methylimidazol-4-yl]-2-(2-methylphenyl)-4-propan-2-ylphthalazin-1-one?
The canonical SMILES for 7-fluoro-6-[2-[(1R)-1-hydroxyethyl]-1-methylimidazol-4-yl]-2-(2-methylphenyl)-4-propan-2-ylphthalazin-1-one is Cc1ccccc1-n1nc(C(C)C)c2cc(-c3cn(C)c([C@@H](C)O)n3)c(F)cc2c1=O.
What is the InChIKey of 7-fluoro-6-[2-[(1R)-1-hydroxyethyl]-1-methylimidazol-4-yl]-2-(2-methylphenyl)-4-propan-2-ylphthalazin-1-one?
The InChIKey is QRNWTLGPRHKLCS-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-13(2)22-16-10-18(20-12-28(5)23(26-20)15(4)30)19(25)11-17(16)24(31)29(27-22)21-9-7-6-8-14(21)3/h6-13,15,30H,1-5H3/t15-/m1/s1.
What are the key properties of 7-fluoro-6-[2-[(1R)-1-hydroxyethyl]-1-methylimidazol-4-yl]-2-(2-methylphenyl)-4-propan-2-ylphthalazin-1-one?
7-fluoro-6-[2-[(1R)-1-hydroxyethyl]-1-methylimidazol-4-yl]-2-(2-methylphenyl)-4-propan-2-ylphthalazin-1-one has a molecular weight of 420.49 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[2-[(1R)-1-hydroxyethyl]-1-methylimidazol-4-yl]-2-(2-methylphenyl)-4-propan-2-ylphthalazin-1-one is sourced from PubChem (CID 163200372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).