[1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone

C24H16Cl2N4O3 — CID 24969442

IUPAC[1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)c1nnc(-c3ccccn3)o1)cn2Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H16Cl2N4O3/c1-32-16-7-8-21-17(11-16)18(13-30(21)12-14-5-6-15(25)10-19(14)26)22(31)24-29-28-23(33-24)20-4-2-3-9-27-20/h2-11,13H,12H2,1H3
InChIKeyABLQRMIVVZUKEO-UHFFFAOYSA-N
MW479.32 g/mol
LogP5.68
Rot. Bonds6

About [1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone

[1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone (PubChem CID 24969442) has the molecular formula C24H16Cl2N4O3 and a molecular weight of 479.32 g/mol. Its IUPAC name is [1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone.

Molecular Properties

Compound Name[1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone
PubChem CID24969442
Molecular FormulaC24H16Cl2N4O3
Molecular Weight479.32 g/mol
Exact Mass478.06
IUPAC Name[1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)c1nnc(-c3ccccn3)o1)cn2Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H16Cl2N4O3/c1-32-16-7-8-21-17(11-16)18(13-30(21)12-14-5-6-15(25)10-19(14)26)22(31)24-29-28-23(33-24)20-4-2-3-9-27-20/h2-11,13H,12H2,1H3
InChIKeyABLQRMIVVZUKEO-UHFFFAOYSA-N
XLogP5.68
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.32
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone?
The IUPAC name of [1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone (CID 24969442) is [1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone.
What is the SMILES notation for [1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone?
The canonical SMILES for [1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone is COc1ccc2c(c1)c(C(=O)c1nnc(-c3ccccn3)o1)cn2Cc1ccc(Cl)cc1Cl.
What is the InChIKey of [1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone?
The InChIKey is ABLQRMIVVZUKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2N4O3/c1-32-16-7-8-21-17(11-16)18(13-30(21)12-14-5-6-15(25)10-19(14)26)22(31)24-29-28-23(33-24)20-4-2-3-9-27-20/h2-11,13H,12H2,1H3.
What are the key properties of [1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone?
[1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone has a molecular weight of 479.32 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone is sourced from PubChem (CID 24969442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).