[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanone

C23H15Cl2N5O3 — CID 24969528

IUPAC[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)c1nc(-c3cnccn3)no1)c(Cl)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C23H15Cl2N5O3/c1-32-15-6-7-18-16(10-15)19(21(25)30(18)12-13-2-4-14(24)5-3-13)20(31)23-28-22(29-33-23)17-11-26-8-9-27-17/h2-11H,12H2,1H3
InChIKeyVXPXPAOKXDCNPP-UHFFFAOYSA-N
MW480.31 g/mol
LogP5.08
Rot. Bonds6

About [2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanone

[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanone (PubChem CID 24969528) has the molecular formula C23H15Cl2N5O3 and a molecular weight of 480.31 g/mol. Its IUPAC name is [2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanone
PubChem CID24969528
Molecular FormulaC23H15Cl2N5O3
Molecular Weight480.31 g/mol
Exact Mass479.06
IUPAC Name[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)c1nc(-c3cnccn3)no1)c(Cl)n2Cc1ccc(Cl)cc1
InChIInChI=1S/C23H15Cl2N5O3/c1-32-15-6-7-18-16(10-15)19(21(25)30(18)12-13-2-4-14(24)5-3-13)20(31)23-28-22(29-33-23)17-11-26-8-9-27-17/h2-11H,12H2,1H3
InChIKeyVXPXPAOKXDCNPP-UHFFFAOYSA-N
XLogP5.08
TPSA95.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.31
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanone
CID 67246558
[2-chloro-1-[(4-chlorophenyl)methyl]-5-ethoxyindol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone
CID 67244288
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)methanone
CID 67244453
[2,5-dichloro-1-[(4-chlorophenyl)methyl]indol-3-yl]-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)methanone
CID 67244935
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanone
CID 67244712
[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone
CID 67244862
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(2-pyrazin-2-yl-1,3-oxazol-4-yl)methanone
CID 67245215
[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyrimidin-4-yl-1,2,4-oxadiazol-3-yl)methanone
CID 67244996
[1-[(4-chlorophenyl)methyl]-5-ethoxy-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanone
CID 67243743
[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-(5-pyridin-4-yl-1,3-oxazol-2-yl)methanone
CID 67244333
2-[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxo-N-pyridin-3-ylacetamide
CID 53308195
[5-chloro-1-[(4-chlorophenyl)methyl]-2-(trifluoromethyl)indol-3-yl]-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methanone
CID 90838043

Frequently Asked Questions

What is the IUPAC name of [2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanone?
The IUPAC name of [2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanone (CID 24969528) is [2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanone.
What is the SMILES notation for [2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanone?
The canonical SMILES for [2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanone is COc1ccc2c(c1)c(C(=O)c1nc(-c3cnccn3)no1)c(Cl)n2Cc1ccc(Cl)cc1.
What is the InChIKey of [2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanone?
The InChIKey is VXPXPAOKXDCNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2N5O3/c1-32-15-6-7-18-16(10-15)19(21(25)30(18)12-13-2-4-14(24)5-3-13)20(31)23-28-22(29-33-23)17-11-26-8-9-27-17/h2-11H,12H2,1H3.
What are the key properties of [2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanone?
[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanone has a molecular weight of 480.31 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanone is sourced from PubChem (CID 24969528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).