6-[(6-fluoro-5-methoxy-2-thiophen-3-ylindol-1-yl)methyl]pyridine-2-carbonitrile

C20H14FN3OS — CID 86707938

IUPAC6-[(6-fluoro-5-methoxy-2-thiophen-3-ylindol-1-yl)methyl]pyridine-2-carbonitrile
SMILESCOc1cc2cc(-c3ccsc3)n(Cc3cccc(C#N)n3)c2cc1F
InChIInChI=1S/C20H14FN3OS/c1-25-20-8-14-7-18(13-5-6-26-12-13)24(19(14)9-17(20)21)11-16-4-2-3-15(10-22)23-16/h2-9,12H,11H2,1H3
InChIKeyVCNCUIPBXPTSDY-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.83
Rot. Bonds4

About 6-[(6-fluoro-5-methoxy-2-thiophen-3-ylindol-1-yl)methyl]pyridine-2-carbonitrile

6-[(6-fluoro-5-methoxy-2-thiophen-3-ylindol-1-yl)methyl]pyridine-2-carbonitrile (PubChem CID 86707938) has the molecular formula C20H14FN3OS and a molecular weight of 363.42 g/mol. Its IUPAC name is 6-[(6-fluoro-5-methoxy-2-thiophen-3-ylindol-1-yl)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(6-fluoro-5-methoxy-2-thiophen-3-ylindol-1-yl)methyl]pyridine-2-carbonitrile
PubChem CID86707938
Molecular FormulaC20H14FN3OS
Molecular Weight363.42 g/mol
Exact Mass363.08
IUPAC Name6-[(6-fluoro-5-methoxy-2-thiophen-3-ylindol-1-yl)methyl]pyridine-2-carbonitrile
SMILESCOc1cc2cc(-c3ccsc3)n(Cc3cccc(C#N)n3)c2cc1F
InChIInChI=1S/C20H14FN3OS/c1-25-20-8-14-7-18(13-5-6-26-12-13)24(19(14)9-17(20)21)11-16-4-2-3-15(10-22)23-16/h2-9,12H,11H2,1H3
InChIKeyVCNCUIPBXPTSDY-UHFFFAOYSA-N
XLogP4.83
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-fluoro-5-methoxy-2-thiophen-3-ylindol-1-yl)methyl]pyridine-2-carbonitrile?
The IUPAC name of 6-[(6-fluoro-5-methoxy-2-thiophen-3-ylindol-1-yl)methyl]pyridine-2-carbonitrile (CID 86707938) is 6-[(6-fluoro-5-methoxy-2-thiophen-3-ylindol-1-yl)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(6-fluoro-5-methoxy-2-thiophen-3-ylindol-1-yl)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(6-fluoro-5-methoxy-2-thiophen-3-ylindol-1-yl)methyl]pyridine-2-carbonitrile is COc1cc2cc(-c3ccsc3)n(Cc3cccc(C#N)n3)c2cc1F.
What is the InChIKey of 6-[(6-fluoro-5-methoxy-2-thiophen-3-ylindol-1-yl)methyl]pyridine-2-carbonitrile?
The InChIKey is VCNCUIPBXPTSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3OS/c1-25-20-8-14-7-18(13-5-6-26-12-13)24(19(14)9-17(20)21)11-16-4-2-3-15(10-22)23-16/h2-9,12H,11H2,1H3.
What are the key properties of 6-[(6-fluoro-5-methoxy-2-thiophen-3-ylindol-1-yl)methyl]pyridine-2-carbonitrile?
6-[(6-fluoro-5-methoxy-2-thiophen-3-ylindol-1-yl)methyl]pyridine-2-carbonitrile has a molecular weight of 363.42 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-fluoro-5-methoxy-2-thiophen-3-ylindol-1-yl)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 86707938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).