5-methoxy-2-phenyl-1-[[6-(4H-triazol-5-yl)-2-pyridinyl]methyl]indole

C23H19N5O — CID 162070992

IUPAC5-methoxy-2-phenyl-1-[[6-(4H-triazol-5-yl)-2-pyridinyl]methyl]indole
SMILESCOc1ccc2c(c1)cc(-c1ccccc1)n2Cc1cccc(C2=NN=NC2)n1
InChIInChI=1S/C23H19N5O/c1-29-19-10-11-22-17(12-19)13-23(16-6-3-2-4-7-16)28(22)15-18-8-5-9-20(25-18)21-14-24-27-26-21/h2-13H,14-15H2,1H3
InChIKeyZBBRGOWGWGCFOM-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.93
Rot. Bonds5

About 5-methoxy-2-phenyl-1-[[6-(4H-triazol-5-yl)-2-pyridinyl]methyl]indole

5-methoxy-2-phenyl-1-[[6-(4H-triazol-5-yl)-2-pyridinyl]methyl]indole (PubChem CID 162070992) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 5-methoxy-2-phenyl-1-[[6-(4H-triazol-5-yl)-2-pyridinyl]methyl]indole.

Molecular Properties

Compound Name5-methoxy-2-phenyl-1-[[6-(4H-triazol-5-yl)-2-pyridinyl]methyl]indole
PubChem CID162070992
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name5-methoxy-2-phenyl-1-[[6-(4H-triazol-5-yl)-2-pyridinyl]methyl]indole
SMILESCOc1ccc2c(c1)cc(-c1ccccc1)n2Cc1cccc(C2=NN=NC2)n1
InChIInChI=1S/C23H19N5O/c1-29-19-10-11-22-17(12-19)13-23(16-6-3-2-4-7-16)28(22)15-18-8-5-9-20(25-18)21-14-24-27-26-21/h2-13H,14-15H2,1H3
InChIKeyZBBRGOWGWGCFOM-UHFFFAOYSA-N
XLogP4.93
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[[2-(3-chlorophenyl)-5-methoxyindol-1-yl]methyl]pyridine-2-carboxylate
CID 67684990
1-benzyl-2-(furan-3-yl)-5-methoxyindole
CID 141287669
ethyl 5-[(5-methoxy-2-phenylindol-1-yl)methyl]thiophene-2-carboxylate
CID 67684745
methyl 6-[[5-methoxy-2-(2-methylphenyl)indol-1-yl]methyl]pyridine-2-carboxylate
CID 67685173
1-benzyl-2,5-bis(4-methoxyphenyl)pyrrolo[2,3-c]pyridine
CID 135061790
methyl 3-[[5-methoxy-2-(3-methoxyphenyl)indol-1-yl]methyl]benzoate
CID 67685081
5-methoxy-1-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)indole
CID 164622798
6-[(5-methoxyindol-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903651
1-(methoxymethyl)-2-(4-methoxyphenyl)indole
CID 177434796
5-methoxy-2-(4-methoxyphenyl)-1-(6-piperidin-1-ylhexyl)indole
CID 15925641
2-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]indole
CID 22387400
6-[(2-butan-2-yl-5-methoxyindol-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 140631612

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-phenyl-1-[[6-(4H-triazol-5-yl)-2-pyridinyl]methyl]indole?
The IUPAC name of 5-methoxy-2-phenyl-1-[[6-(4H-triazol-5-yl)-2-pyridinyl]methyl]indole (CID 162070992) is 5-methoxy-2-phenyl-1-[[6-(4H-triazol-5-yl)-2-pyridinyl]methyl]indole.
What is the SMILES notation for 5-methoxy-2-phenyl-1-[[6-(4H-triazol-5-yl)-2-pyridinyl]methyl]indole?
The canonical SMILES for 5-methoxy-2-phenyl-1-[[6-(4H-triazol-5-yl)-2-pyridinyl]methyl]indole is COc1ccc2c(c1)cc(-c1ccccc1)n2Cc1cccc(C2=NN=NC2)n1.
What is the InChIKey of 5-methoxy-2-phenyl-1-[[6-(4H-triazol-5-yl)-2-pyridinyl]methyl]indole?
The InChIKey is ZBBRGOWGWGCFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c1-29-19-10-11-22-17(12-19)13-23(16-6-3-2-4-7-16)28(22)15-18-8-5-9-20(25-18)21-14-24-27-26-21/h2-13H,14-15H2,1H3.
What are the key properties of 5-methoxy-2-phenyl-1-[[6-(4H-triazol-5-yl)-2-pyridinyl]methyl]indole?
5-methoxy-2-phenyl-1-[[6-(4H-triazol-5-yl)-2-pyridinyl]methyl]indole has a molecular weight of 381.44 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-phenyl-1-[[6-(4H-triazol-5-yl)-2-pyridinyl]methyl]indole is sourced from PubChem (CID 162070992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).