6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyridin-2-one

C21H19FN4O — CID 137477709

IUPAC6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyridin-2-one
SMILESCC(C)C(c1ncn[nH]1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C21H19FN4O/c1-12(2)19(20-23-11-24-26-20)15-8-9-18(25-21(15)27)14-7-6-13-4-3-5-17(22)16(13)10-14/h3-12,19H,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyNOCNZNOJCPBFEA-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.24
Rot. Bonds4

About 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyridin-2-one

6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyridin-2-one (PubChem CID 137477709) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyridin-2-one
PubChem CID137477709
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyridin-2-one
SMILESCC(C)C(c1ncn[nH]1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C21H19FN4O/c1-12(2)19(20-23-11-24-26-20)15-8-9-18(25-21(15)27)14-7-6-13-4-3-5-17(22)16(13)10-14/h3-12,19H,1-2H3,(H,25,27)(H,23,24,26)
InChIKeyNOCNZNOJCPBFEA-UHFFFAOYSA-N
XLogP4.24
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyridin-2-one?
The IUPAC name of 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyridin-2-one (CID 137477709) is 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyridin-2-one?
The canonical SMILES for 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyridin-2-one is CC(C)C(c1ncn[nH]1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O.
What is the InChIKey of 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyridin-2-one?
The InChIKey is NOCNZNOJCPBFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c1-12(2)19(20-23-11-24-26-20)15-8-9-18(25-21(15)27)14-7-6-13-4-3-5-17(22)16(13)10-14/h3-12,19H,1-2H3,(H,25,27)(H,23,24,26).
What are the key properties of 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyridin-2-one?
6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyridin-2-one has a molecular weight of 362.41 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyridin-2-one is sourced from PubChem (CID 137477709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).