4-[5-[3-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]propa-1,2-dienyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one

C24H16ClN7O4S — CID 57377545

IUPAC4-[5-[3-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]propa-1,2-dienyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
SMILESCS(=O)(=O)c1ccc(-c2nnc(C=C=Cc3nnc(-c4cc[nH]c(=O)c4)o3)n2-c2ccccc2Cl)nc1
InChIInChI=1S/C24H16ClN7O4S/c1-37(34,35)16-9-10-18(27-14-16)23-30-28-20(32(23)19-6-3-2-5-17(19)25)7-4-8-22-29-31-24(36-22)15-11-12-26-21(33)13-15/h2-3,5-14H,1H3,(H,26,33)
InChIKeyUAHDLNIUXXOQBA-UHFFFAOYSA-N
MW533.96 g/mol
LogP3.45
Rot. Bonds6

About 4-[5-[3-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]propa-1,2-dienyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one

4-[5-[3-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]propa-1,2-dienyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one (PubChem CID 57377545) has the molecular formula C24H16ClN7O4S and a molecular weight of 533.96 g/mol. Its IUPAC name is 4-[5-[3-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]propa-1,2-dienyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[5-[3-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]propa-1,2-dienyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
PubChem CID57377545
Molecular FormulaC24H16ClN7O4S
Molecular Weight533.96 g/mol
Exact Mass533.07
IUPAC Name4-[5-[3-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]propa-1,2-dienyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
SMILESCS(=O)(=O)c1ccc(-c2nnc(C=C=Cc3nnc(-c4cc[nH]c(=O)c4)o3)n2-c2ccccc2Cl)nc1
InChIInChI=1S/C24H16ClN7O4S/c1-37(34,35)16-9-10-18(27-14-16)23-30-28-20(32(23)19-6-3-2-5-17(19)25)7-4-8-22-29-31-24(36-22)15-11-12-26-21(33)13-15/h2-3,5-14H,1H3,(H,26,33)
InChIKeyUAHDLNIUXXOQBA-UHFFFAOYSA-N
XLogP3.45
TPSA149.52 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.96
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-[5-[3-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]propa-1,2-dienyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one with MolForge

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Related Compounds

4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
CID 57378742
4-[5-[2-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]benzonitrile
CID 67960135
2-(4-bromophenyl)-5-[(E)-2-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazole
CID 57377649
2-[4-(2-chlorophenyl)-5-ethenyl-1,2,4-triazol-3-yl]-5-methylsulfonylpyridine
CID 141342613
4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethenyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
CID 57378623
4-[5-[(E)-2-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-1,3-oxazol-2-yl]benzonitrile
CID 142613960
2-[(E)-2-[4-(2-chlorophenyl)-5-(4-methylsulfonylphenyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole
CID 57378503
2-[(E)-2-[4-(2-chlorophenyl)-5-(5-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]ethenyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-oxadiazole
CID 57378507
3-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]-2,3-difluoroprop-2-enoyl chloride
CID 123975611
2-[4-(2-chlorophenyl)-1,2,4-triazol-3-yl]-5-methylsulfonylpyridine
CID 141342601
(E)-3-[4-[2-chloro-4-(trifluoromethoxy)phenyl]-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]prop-2-enoic acid
CID 67960322
(E)-3-[4-(2-chlorophenyl)-5-[5-(2,2,2-trifluoroacetyl)-2-pyridinyl]-1,2,4-triazol-3-yl]prop-2-enoic acid
CID 67968000

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]propa-1,2-dienyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[5-[3-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]propa-1,2-dienyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one (CID 57377545) is 4-[5-[3-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]propa-1,2-dienyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[5-[3-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]propa-1,2-dienyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[5-[3-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]propa-1,2-dienyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one is CS(=O)(=O)c1ccc(-c2nnc(C=C=Cc3nnc(-c4cc[nH]c(=O)c4)o3)n2-c2ccccc2Cl)nc1.
What is the InChIKey of 4-[5-[3-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]propa-1,2-dienyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?
The InChIKey is UAHDLNIUXXOQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN7O4S/c1-37(34,35)16-9-10-18(27-14-16)23-30-28-20(32(23)19-6-3-2-5-17(19)25)7-4-8-22-29-31-24(36-22)15-11-12-26-21(33)13-15/h2-3,5-14H,1H3,(H,26,33).
What are the key properties of 4-[5-[3-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]propa-1,2-dienyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?
4-[5-[3-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]propa-1,2-dienyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one has a molecular weight of 533.96 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-[4-(2-chlorophenyl)-5-(5-methylsulfonyl-2-pyridinyl)-1,2,4-triazol-3-yl]propa-1,2-dienyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 57377545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).