2-[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]acetonitrile

C23H19N3O — CID 86703304

IUPAC2-[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]acetonitrile
SMILESCOc1ccc2c(Cc3cccc(CC#N)n3)c(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C23H19N3O/c1-27-19-10-11-20-21(14-18-9-5-8-17(25-18)12-13-24)23(26-22(20)15-19)16-6-3-2-4-7-16/h2-11,15,26H,12,14H2,1H3
InChIKeyJEQWABBDWHHOKX-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.90
Rot. Bonds5

About 2-[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]acetonitrile

2-[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]acetonitrile (PubChem CID 86703304) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]acetonitrile
PubChem CID86703304
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name2-[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]acetonitrile
SMILESCOc1ccc2c(Cc3cccc(CC#N)n3)c(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C23H19N3O/c1-27-19-10-11-20-21(14-18-9-5-8-17(25-18)12-13-24)23(26-22(20)15-19)16-6-3-2-4-7-16/h2-11,15,26H,12,14H2,1H3
InChIKeyJEQWABBDWHHOKX-UHFFFAOYSA-N
XLogP4.90
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]methanol
CID 86703303
6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
CID 50903301
3-[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-2H-1,2,4-oxadiazole-5-thione
CID 86703292
6-[[2-(3,4-difluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 68755330
6-[[6-methoxy-2-(2-methylfuran-3-yl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 69096906
3-[[5-(2,3-dihydro-1H-tetrazol-5-yl)furan-2-yl]methyl]-6-methoxy-2-phenyl-1H-indole
CID 90359445
methyl 3-fluoro-5-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]benzoate
CID 69097105
methyl 6-[(6-methoxy-5-methyl-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate
CID 68755403
6-methyl-3-[(6-methyl-2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole
CID 166069538
CID 53376627
CID 53376627
2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole
CID 71546977
6-[(2-butan-2-yl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
CID 69097215

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]acetonitrile (CID 86703304) is 2-[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]acetonitrile is COc1ccc2c(Cc3cccc(CC#N)n3)c(-c3ccccc3)[nH]c2c1.
What is the InChIKey of 2-[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]acetonitrile?
The InChIKey is JEQWABBDWHHOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O/c1-27-19-10-11-20-21(14-18-9-5-8-17(25-18)12-13-24)23(26-22(20)15-19)16-6-3-2-4-7-16/h2-11,15,26H,12,14H2,1H3.
What are the key properties of 2-[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]acetonitrile?
2-[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]acetonitrile has a molecular weight of 353.43 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]acetonitrile is sourced from PubChem (CID 86703304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).