6-[4-(2-cyclopropylethyl)phenyl]-4-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one

C25H24N4O — CID 137226649

IUPAC6-[4-(2-cyclopropylethyl)phenyl]-4-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
SMILESCc1ccc(-c2cc(-c3ccc(CCC4CC4)cc3)[nH]c(=O)c2-c2ncn[nH]2)cc1
InChIInChI=1S/C25H24N4O/c1-16-2-10-19(11-3-16)21-14-22(28-25(30)23(21)24-26-15-27-29-24)20-12-8-18(9-13-20)7-6-17-4-5-17/h2-3,8-15,17H,4-7H2,1H3,(H,28,30)(H,26,27,29)
InChIKeyUZNWZHWZVZUZSU-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.15
Rot. Bonds6

About 6-[4-(2-cyclopropylethyl)phenyl]-4-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one

6-[4-(2-cyclopropylethyl)phenyl]-4-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one (PubChem CID 137226649) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 6-[4-(2-cyclopropylethyl)phenyl]-4-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[4-(2-cyclopropylethyl)phenyl]-4-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
PubChem CID137226649
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name6-[4-(2-cyclopropylethyl)phenyl]-4-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
SMILESCc1ccc(-c2cc(-c3ccc(CCC4CC4)cc3)[nH]c(=O)c2-c2ncn[nH]2)cc1
InChIInChI=1S/C25H24N4O/c1-16-2-10-19(11-3-16)21-14-22(28-25(30)23(21)24-26-15-27-29-24)20-12-8-18(9-13-20)7-6-17-4-5-17/h2-3,8-15,17H,4-7H2,1H3,(H,28,30)(H,26,27,29)
InChIKeyUZNWZHWZVZUZSU-UHFFFAOYSA-N
XLogP5.15
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-cyclopropylethyl)phenyl]-4-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
The IUPAC name of 6-[4-(2-cyclopropylethyl)phenyl]-4-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one (CID 137226649) is 6-[4-(2-cyclopropylethyl)phenyl]-4-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 6-[4-(2-cyclopropylethyl)phenyl]-4-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 6-[4-(2-cyclopropylethyl)phenyl]-4-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one is Cc1ccc(-c2cc(-c3ccc(CCC4CC4)cc3)[nH]c(=O)c2-c2ncn[nH]2)cc1.
What is the InChIKey of 6-[4-(2-cyclopropylethyl)phenyl]-4-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
The InChIKey is UZNWZHWZVZUZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-16-2-10-19(11-3-16)21-14-22(28-25(30)23(21)24-26-15-27-29-24)20-12-8-18(9-13-20)7-6-17-4-5-17/h2-3,8-15,17H,4-7H2,1H3,(H,28,30)(H,26,27,29).
What are the key properties of 6-[4-(2-cyclopropylethyl)phenyl]-4-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
6-[4-(2-cyclopropylethyl)phenyl]-4-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one has a molecular weight of 396.49 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-cyclopropylethyl)phenyl]-4-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 137226649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).