5-[3-[2-(3-chlorophenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one

C22H21ClN4O — CID 130277212

IUPAC5-[3-[2-(3-chlorophenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2ccc3nnc(C(C)(C)c4cccc(Cl)c4)n3c2)cn(C)c1=O
InChIInChI=1S/C22H21ClN4O/c1-14-10-16(12-26(4)20(14)28)15-8-9-19-24-25-21(27(19)13-15)22(2,3)17-6-5-7-18(23)11-17/h5-13H,1-4H3
InChIKeyWOEPIOLDAVGMIG-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.38
Rot. Bonds3

About 5-[3-[2-(3-chlorophenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one

5-[3-[2-(3-chlorophenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one (PubChem CID 130277212) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is 5-[3-[2-(3-chlorophenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[3-[2-(3-chlorophenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one
PubChem CID130277212
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC Name5-[3-[2-(3-chlorophenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2ccc3nnc(C(C)(C)c4cccc(Cl)c4)n3c2)cn(C)c1=O
InChIInChI=1S/C22H21ClN4O/c1-14-10-16(12-26(4)20(14)28)15-8-9-19-24-25-21(27(19)13-15)22(2,3)17-6-5-7-18(23)11-17/h5-13H,1-4H3
InChIKeyWOEPIOLDAVGMIG-UHFFFAOYSA-N
XLogP4.38
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(3-chlorophenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[3-[2-(3-chlorophenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one (CID 130277212) is 5-[3-[2-(3-chlorophenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[3-[2-(3-chlorophenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[3-[2-(3-chlorophenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one is Cc1cc(-c2ccc3nnc(C(C)(C)c4cccc(Cl)c4)n3c2)cn(C)c1=O.
What is the InChIKey of 5-[3-[2-(3-chlorophenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one?
The InChIKey is WOEPIOLDAVGMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O/c1-14-10-16(12-26(4)20(14)28)15-8-9-19-24-25-21(27(19)13-15)22(2,3)17-6-5-7-18(23)11-17/h5-13H,1-4H3.
What are the key properties of 5-[3-[2-(3-chlorophenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one?
5-[3-[2-(3-chlorophenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one has a molecular weight of 392.89 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(3-chlorophenyl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 130277212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).