6-fluoro-3-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole

C19H16FN3OS — CID 175416683

IUPAC6-fluoro-3-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole
SMILESCOc1cccc(-c2cc(CSc3c[nH]c4cc(F)ccc34)[nH]n2)c1
InChIInChI=1S/C19H16FN3OS/c1-24-15-4-2-3-12(7-15)17-9-14(22-23-17)11-25-19-10-21-18-8-13(20)5-6-16(18)19/h2-10,21H,11H2,1H3,(H,22,23)
InChIKeyBRGNIFSFLXFYNU-UHFFFAOYSA-N
MW353.42 g/mol
LogP5.00
Rot. Bonds5

About 6-fluoro-3-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole

6-fluoro-3-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole (PubChem CID 175416683) has the molecular formula C19H16FN3OS and a molecular weight of 353.42 g/mol. Its IUPAC name is 6-fluoro-3-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole.

Molecular Properties

Compound Name6-fluoro-3-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole
PubChem CID175416683
Molecular FormulaC19H16FN3OS
Molecular Weight353.42 g/mol
Exact Mass353.10
IUPAC Name6-fluoro-3-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole
SMILESCOc1cccc(-c2cc(CSc3c[nH]c4cc(F)ccc34)[nH]n2)c1
InChIInChI=1S/C19H16FN3OS/c1-24-15-4-2-3-12(7-15)17-9-14(22-23-17)11-25-19-10-21-18-8-13(20)5-6-16(18)19/h2-10,21H,11H2,1H3,(H,22,23)
InChIKeyBRGNIFSFLXFYNU-UHFFFAOYSA-N
XLogP5.00
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole?
The IUPAC name of 6-fluoro-3-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole (CID 175416683) is 6-fluoro-3-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole.
What is the SMILES notation for 6-fluoro-3-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole?
The canonical SMILES for 6-fluoro-3-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole is COc1cccc(-c2cc(CSc3c[nH]c4cc(F)ccc34)[nH]n2)c1.
What is the InChIKey of 6-fluoro-3-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole?
The InChIKey is BRGNIFSFLXFYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3OS/c1-24-15-4-2-3-12(7-15)17-9-14(22-23-17)11-25-19-10-21-18-8-13(20)5-6-16(18)19/h2-10,21H,11H2,1H3,(H,22,23).
What are the key properties of 6-fluoro-3-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole?
6-fluoro-3-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole has a molecular weight of 353.42 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole is sourced from PubChem (CID 175416683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).