5-methylsulfanyl-1,3-diphenylfuro[3,2-e]indazole-4-carbonitrile

C23H15N3OS — CID 46183585

IUPAC5-methylsulfanyl-1,3-diphenylfuro[3,2-e]indazole-4-carbonitrile
SMILESCSc1c(C#N)c2c(c(-c3ccccc3)nn2-c2ccccc2)c2ccoc12
InChIInChI=1S/C23H15N3OS/c1-28-23-18(14-24)21-19(17-12-13-27-22(17)23)20(15-8-4-2-5-9-15)25-26(21)16-10-6-3-7-11-16/h2-13H,1H3
InChIKeyNWWHLOYHDFYVAR-UHFFFAOYSA-N
MW381.46 g/mol
LogP6.03
Rot. Bonds3

About 5-methylsulfanyl-1,3-diphenylfuro[3,2-e]indazole-4-carbonitrile

5-methylsulfanyl-1,3-diphenylfuro[3,2-e]indazole-4-carbonitrile (PubChem CID 46183585) has the molecular formula C23H15N3OS and a molecular weight of 381.46 g/mol. Its IUPAC name is 5-methylsulfanyl-1,3-diphenylfuro[3,2-e]indazole-4-carbonitrile.

Molecular Properties

Compound Name5-methylsulfanyl-1,3-diphenylfuro[3,2-e]indazole-4-carbonitrile
PubChem CID46183585
Molecular FormulaC23H15N3OS
Molecular Weight381.46 g/mol
Exact Mass381.09
IUPAC Name5-methylsulfanyl-1,3-diphenylfuro[3,2-e]indazole-4-carbonitrile
SMILESCSc1c(C#N)c2c(c(-c3ccccc3)nn2-c2ccccc2)c2ccoc12
InChIInChI=1S/C23H15N3OS/c1-28-23-18(14-24)21-19(17-12-13-27-22(17)23)20(15-8-4-2-5-9-15)25-26(21)16-10-6-3-7-11-16/h2-13H,1H3
InChIKeyNWWHLOYHDFYVAR-UHFFFAOYSA-N
XLogP6.03
TPSA54.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.46
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(furan-2-yl)-3,6-bis(4-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 102393650
1,5-diphenyl-3-(7-phenyl-[1,2]oxazolo[3,4-d]pyridazin-4-yl)pyrazole-4-carbonitrile
CID 71739777
3-methyl-4,6-diphenylpyrazolo[4,5-d][1,2]oxazole
CID 86154193
1-(4-methylphenyl)-5-phenyl-3-(7-phenyl-[1,2]oxazolo[3,4-d]pyridazin-4-yl)pyrazole-4-carbonitrile
CID 71739778
5-amino-3-(3-fluorophenyl)-1-phenylpyrazole-4-carbonitrile
CID 22309810
5-chloro-4,6-dimethyl-1,3-diphenylpyrazolo[3,4-b]pyridine
CID 1480891
8-methylsulfanyl-6,7-diphenyl-4,5-dihydrobenzo[e][1]benzofuran-9-carbonitrile
CID 102178413
6-methylsulfanyl-1,3-diphenylpyrazolo[3,4-d]pyrimidine
CID 171099009
4-(1-phenylindazol-3-yl)benzonitrile
CID 57379769
6-imino-2-methylsulfanyl-1,4-diphenylpyrimidine-5-carbonitrile
CID 5018617
2,4-diphenyl-5-thiophen-2-ylpyrazole-3-carbonitrile
CID 14000355
4-(4-methoxyphenyl)-3,6-diphenylpyrazolo[4,5-d][1,2]oxazole
CID 172991391

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-1,3-diphenylfuro[3,2-e]indazole-4-carbonitrile?
The IUPAC name of 5-methylsulfanyl-1,3-diphenylfuro[3,2-e]indazole-4-carbonitrile (CID 46183585) is 5-methylsulfanyl-1,3-diphenylfuro[3,2-e]indazole-4-carbonitrile.
What is the SMILES notation for 5-methylsulfanyl-1,3-diphenylfuro[3,2-e]indazole-4-carbonitrile?
The canonical SMILES for 5-methylsulfanyl-1,3-diphenylfuro[3,2-e]indazole-4-carbonitrile is CSc1c(C#N)c2c(c(-c3ccccc3)nn2-c2ccccc2)c2ccoc12.
What is the InChIKey of 5-methylsulfanyl-1,3-diphenylfuro[3,2-e]indazole-4-carbonitrile?
The InChIKey is NWWHLOYHDFYVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3OS/c1-28-23-18(14-24)21-19(17-12-13-27-22(17)23)20(15-8-4-2-5-9-15)25-26(21)16-10-6-3-7-11-16/h2-13H,1H3.
What are the key properties of 5-methylsulfanyl-1,3-diphenylfuro[3,2-e]indazole-4-carbonitrile?
5-methylsulfanyl-1,3-diphenylfuro[3,2-e]indazole-4-carbonitrile has a molecular weight of 381.46 g/mol, XLogP of 6.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-1,3-diphenylfuro[3,2-e]indazole-4-carbonitrile is sourced from PubChem (CID 46183585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).