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

C21H20FN5O — CID 137477657

IUPAC6-(8-fluoronaphthalen-2-yl)-3-[3-methyl-1-(2H-tetrazol-5-yl)butan-2-yl]-1H-pyridin-2-one
SMILESCC(C)C(Cc1nn[nH]n1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C21H20FN5O/c1-12(2)16(11-20-24-26-27-25-20)15-8-9-19(23-21(15)28)14-7-6-13-4-3-5-18(22)17(13)10-14/h3-10,12,16H,11H2,1-2H3,(H,23,28)(H,24,25,26,27)
InChIKeyOCYUMGRKUROFGX-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.83
Rot. Bonds5

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

6-(8-fluoronaphthalen-2-yl)-3-[3-methyl-1-(2H-tetrazol-5-yl)butan-2-yl]-1H-pyridin-2-one (PubChem CID 137477657) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is 6-(8-fluoronaphthalen-2-yl)-3-[3-methyl-1-(2H-tetrazol-5-yl)butan-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(8-fluoronaphthalen-2-yl)-3-[3-methyl-1-(2H-tetrazol-5-yl)butan-2-yl]-1H-pyridin-2-one
PubChem CID137477657
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC Name6-(8-fluoronaphthalen-2-yl)-3-[3-methyl-1-(2H-tetrazol-5-yl)butan-2-yl]-1H-pyridin-2-one
SMILESCC(C)C(Cc1nn[nH]n1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C21H20FN5O/c1-12(2)16(11-20-24-26-27-25-20)15-8-9-19(23-21(15)28)14-7-6-13-4-3-5-18(22)17(13)10-14/h3-10,12,16H,11H2,1-2H3,(H,23,28)(H,24,25,26,27)
InChIKeyOCYUMGRKUROFGX-UHFFFAOYSA-N
XLogP3.83
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(8-fluoronaphthalen-2-yl)-3-[3-methyl-1-(2H-tetrazol-5-yl)butan-2-yl]-1H-pyridin-2-one?
The IUPAC name of 6-(8-fluoronaphthalen-2-yl)-3-[3-methyl-1-(2H-tetrazol-5-yl)butan-2-yl]-1H-pyridin-2-one (CID 137477657) is 6-(8-fluoronaphthalen-2-yl)-3-[3-methyl-1-(2H-tetrazol-5-yl)butan-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-(8-fluoronaphthalen-2-yl)-3-[3-methyl-1-(2H-tetrazol-5-yl)butan-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-(8-fluoronaphthalen-2-yl)-3-[3-methyl-1-(2H-tetrazol-5-yl)butan-2-yl]-1H-pyridin-2-one is CC(C)C(Cc1nn[nH]n1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O.
What is the InChIKey of 6-(8-fluoronaphthalen-2-yl)-3-[3-methyl-1-(2H-tetrazol-5-yl)butan-2-yl]-1H-pyridin-2-one?
The InChIKey is OCYUMGRKUROFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O/c1-12(2)16(11-20-24-26-27-25-20)15-8-9-19(23-21(15)28)14-7-6-13-4-3-5-18(22)17(13)10-14/h3-10,12,16H,11H2,1-2H3,(H,23,28)(H,24,25,26,27).
What are the key properties of 6-(8-fluoronaphthalen-2-yl)-3-[3-methyl-1-(2H-tetrazol-5-yl)butan-2-yl]-1H-pyridin-2-one?
6-(8-fluoronaphthalen-2-yl)-3-[3-methyl-1-(2H-tetrazol-5-yl)butan-2-yl]-1H-pyridin-2-one has a molecular weight of 377.42 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-fluoronaphthalen-2-yl)-3-[3-methyl-1-(2H-tetrazol-5-yl)butan-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 137477657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).