2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-indole-5-carbonitrile

C20H17N3O — CID 141393467

IUPAC2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-indole-5-carbonitrile
SMILESCOc1cc(C)c2[nH]ccc2c1Cc1cc2cc(C#N)ccc2[nH]1
InChIInChI=1S/C20H17N3O/c1-12-7-19(24-2)17(16-5-6-22-20(12)16)10-15-9-14-8-13(11-21)3-4-18(14)23-15/h3-9,22-23H,10H2,1-2H3
InChIKeyJZIBSKOLJIVLND-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.43
Rot. Bonds3

About 2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-indole-5-carbonitrile

2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-indole-5-carbonitrile (PubChem CID 141393467) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-indole-5-carbonitrile
PubChem CID141393467
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-indole-5-carbonitrile
SMILESCOc1cc(C)c2[nH]ccc2c1Cc1cc2cc(C#N)ccc2[nH]1
InChIInChI=1S/C20H17N3O/c1-12-7-19(24-2)17(16-5-6-22-20(12)16)10-15-9-14-8-13(11-21)3-4-18(14)23-15/h3-9,22-23H,10H2,1-2H3
InChIKeyJZIBSKOLJIVLND-UHFFFAOYSA-N
XLogP4.43
TPSA64.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-indole-5-carbonitrile?
The IUPAC name of 2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-indole-5-carbonitrile (CID 141393467) is 2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-indole-5-carbonitrile is COc1cc(C)c2[nH]ccc2c1Cc1cc2cc(C#N)ccc2[nH]1.
What is the InChIKey of 2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-indole-5-carbonitrile?
The InChIKey is JZIBSKOLJIVLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-12-7-19(24-2)17(16-5-6-22-20(12)16)10-15-9-14-8-13(11-21)3-4-18(14)23-15/h3-9,22-23H,10H2,1-2H3.
What are the key properties of 2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-indole-5-carbonitrile?
2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-indole-5-carbonitrile has a molecular weight of 315.38 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 141393467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).