6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(5-methyl-1H-imidazol-2-yl)propyl]-1H-pyridin-2-one

C23H22FN3O — CID 137477766

IUPAC6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(5-methyl-1H-imidazol-2-yl)propyl]-1H-pyridin-2-one
SMILESCc1cnc(C(c2ccc(-c3ccc4cccc(F)c4c3)[nH]c2=O)C(C)C)[nH]1
InChIInChI=1S/C23H22FN3O/c1-13(2)21(22-25-12-14(3)26-22)17-9-10-20(27-23(17)28)16-8-7-15-5-4-6-19(24)18(15)11-16/h4-13,21H,1-3H3,(H,25,26)(H,27,28)
InChIKeyYECGYSITIVNLNO-UHFFFAOYSA-N
MW375.45 g/mol
LogP5.15
Rot. Bonds4

About 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(5-methyl-1H-imidazol-2-yl)propyl]-1H-pyridin-2-one

6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(5-methyl-1H-imidazol-2-yl)propyl]-1H-pyridin-2-one (PubChem CID 137477766) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(5-methyl-1H-imidazol-2-yl)propyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(5-methyl-1H-imidazol-2-yl)propyl]-1H-pyridin-2-one
PubChem CID137477766
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(5-methyl-1H-imidazol-2-yl)propyl]-1H-pyridin-2-one
SMILESCc1cnc(C(c2ccc(-c3ccc4cccc(F)c4c3)[nH]c2=O)C(C)C)[nH]1
InChIInChI=1S/C23H22FN3O/c1-13(2)21(22-25-12-14(3)26-22)17-9-10-20(27-23(17)28)16-8-7-15-5-4-6-19(24)18(15)11-16/h4-13,21H,1-3H3,(H,25,26)(H,27,28)
InChIKeyYECGYSITIVNLNO-UHFFFAOYSA-N
XLogP5.15
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.45
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(5-methyl-1H-imidazol-2-yl)propyl]-1H-pyridin-2-one?
The IUPAC name of 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(5-methyl-1H-imidazol-2-yl)propyl]-1H-pyridin-2-one (CID 137477766) is 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(5-methyl-1H-imidazol-2-yl)propyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(5-methyl-1H-imidazol-2-yl)propyl]-1H-pyridin-2-one?
The canonical SMILES for 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(5-methyl-1H-imidazol-2-yl)propyl]-1H-pyridin-2-one is Cc1cnc(C(c2ccc(-c3ccc4cccc(F)c4c3)[nH]c2=O)C(C)C)[nH]1.
What is the InChIKey of 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(5-methyl-1H-imidazol-2-yl)propyl]-1H-pyridin-2-one?
The InChIKey is YECGYSITIVNLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O/c1-13(2)21(22-25-12-14(3)26-22)17-9-10-20(27-23(17)28)16-8-7-15-5-4-6-19(24)18(15)11-16/h4-13,21H,1-3H3,(H,25,26)(H,27,28).
What are the key properties of 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(5-methyl-1H-imidazol-2-yl)propyl]-1H-pyridin-2-one?
6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(5-methyl-1H-imidazol-2-yl)propyl]-1H-pyridin-2-one has a molecular weight of 375.45 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(5-methyl-1H-imidazol-2-yl)propyl]-1H-pyridin-2-one is sourced from PubChem (CID 137477766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).