4-chloro-1-[[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-propylindole-5-carbonitrile

C20H19ClN6O — CID 58543314

IUPAC4-chloro-1-[[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-propylindole-5-carbonitrile
SMILESCCCc1cc2c(Cl)c(C#N)ccc2n1Cc1noc(-c2cnn(C)c2C)n1
InChIInChI=1S/C20H19ClN6O/c1-4-5-14-8-15-17(7-6-13(9-22)19(15)21)27(14)11-18-24-20(28-25-18)16-10-23-26(3)12(16)2/h6-8,10H,4-5,11H2,1-3H3
InChIKeyLQTAGEMUSJVPMA-UHFFFAOYSA-N
MW394.87 g/mol
LogP4.26
Rot. Bonds5

About 4-chloro-1-[[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-propylindole-5-carbonitrile

4-chloro-1-[[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-propylindole-5-carbonitrile (PubChem CID 58543314) has the molecular formula C20H19ClN6O and a molecular weight of 394.87 g/mol. Its IUPAC name is 4-chloro-1-[[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-propylindole-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-1-[[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-propylindole-5-carbonitrile
PubChem CID58543314
Molecular FormulaC20H19ClN6O
Molecular Weight394.87 g/mol
Exact Mass394.13
IUPAC Name4-chloro-1-[[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-propylindole-5-carbonitrile
SMILESCCCc1cc2c(Cl)c(C#N)ccc2n1Cc1noc(-c2cnn(C)c2C)n1
InChIInChI=1S/C20H19ClN6O/c1-4-5-14-8-15-17(7-6-13(9-22)19(15)21)27(14)11-18-24-20(28-25-18)16-10-23-26(3)12(16)2/h6-8,10H,4-5,11H2,1-3H3
InChIKeyLQTAGEMUSJVPMA-UHFFFAOYSA-N
XLogP4.26
TPSA85.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.87
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-propylindole-5-carbonitrile?
The IUPAC name of 4-chloro-1-[[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-propylindole-5-carbonitrile (CID 58543314) is 4-chloro-1-[[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-propylindole-5-carbonitrile.
What is the SMILES notation for 4-chloro-1-[[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-propylindole-5-carbonitrile?
The canonical SMILES for 4-chloro-1-[[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-propylindole-5-carbonitrile is CCCc1cc2c(Cl)c(C#N)ccc2n1Cc1noc(-c2cnn(C)c2C)n1.
What is the InChIKey of 4-chloro-1-[[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-propylindole-5-carbonitrile?
The InChIKey is LQTAGEMUSJVPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O/c1-4-5-14-8-15-17(7-6-13(9-22)19(15)21)27(14)11-18-24-20(28-25-18)16-10-23-26(3)12(16)2/h6-8,10H,4-5,11H2,1-3H3.
What are the key properties of 4-chloro-1-[[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-propylindole-5-carbonitrile?
4-chloro-1-[[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-propylindole-5-carbonitrile has a molecular weight of 394.87 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[[5-(1,5-dimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-propylindole-5-carbonitrile is sourced from PubChem (CID 58543314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).