7-methoxy-1-(3-methylbutan-2-yl)-3-(5-phenyl-3-pyridinyl)indole

C25H26N2O — CID 54463085

IUPAC7-methoxy-1-(3-methylbutan-2-yl)-3-(5-phenyl-3-pyridinyl)indole
SMILESCOc1cccc2c(-c3cncc(-c4ccccc4)c3)cn(C(C)C(C)C)c12
InChIInChI=1S/C25H26N2O/c1-17(2)18(3)27-16-23(22-11-8-12-24(28-4)25(22)27)21-13-20(14-26-15-21)19-9-6-5-7-10-19/h5-18H,1-4H3
InChIKeyHDTDIZUKQWRREO-UHFFFAOYSA-N
MW370.50 g/mol
LogP6.60
Rot. Bonds5

About 7-methoxy-1-(3-methylbutan-2-yl)-3-(5-phenyl-3-pyridinyl)indole

7-methoxy-1-(3-methylbutan-2-yl)-3-(5-phenyl-3-pyridinyl)indole (PubChem CID 54463085) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 7-methoxy-1-(3-methylbutan-2-yl)-3-(5-phenyl-3-pyridinyl)indole.

Molecular Properties

Compound Name7-methoxy-1-(3-methylbutan-2-yl)-3-(5-phenyl-3-pyridinyl)indole
PubChem CID54463085
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name7-methoxy-1-(3-methylbutan-2-yl)-3-(5-phenyl-3-pyridinyl)indole
SMILESCOc1cccc2c(-c3cncc(-c4ccccc4)c3)cn(C(C)C(C)C)c12
InChIInChI=1S/C25H26N2O/c1-17(2)18(3)27-16-23(22-11-8-12-24(28-4)25(22)27)21-13-20(14-26-15-21)19-9-6-5-7-10-19/h5-18H,1-4H3
InChIKeyHDTDIZUKQWRREO-UHFFFAOYSA-N
XLogP6.60
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(3-methylbutan-2-yl)-3-(5-phenyl-3-pyridinyl)indole?
The IUPAC name of 7-methoxy-1-(3-methylbutan-2-yl)-3-(5-phenyl-3-pyridinyl)indole (CID 54463085) is 7-methoxy-1-(3-methylbutan-2-yl)-3-(5-phenyl-3-pyridinyl)indole.
What is the SMILES notation for 7-methoxy-1-(3-methylbutan-2-yl)-3-(5-phenyl-3-pyridinyl)indole?
The canonical SMILES for 7-methoxy-1-(3-methylbutan-2-yl)-3-(5-phenyl-3-pyridinyl)indole is COc1cccc2c(-c3cncc(-c4ccccc4)c3)cn(C(C)C(C)C)c12.
What is the InChIKey of 7-methoxy-1-(3-methylbutan-2-yl)-3-(5-phenyl-3-pyridinyl)indole?
The InChIKey is HDTDIZUKQWRREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-17(2)18(3)27-16-23(22-11-8-12-24(28-4)25(22)27)21-13-20(14-26-15-21)19-9-6-5-7-10-19/h5-18H,1-4H3.
What are the key properties of 7-methoxy-1-(3-methylbutan-2-yl)-3-(5-phenyl-3-pyridinyl)indole?
7-methoxy-1-(3-methylbutan-2-yl)-3-(5-phenyl-3-pyridinyl)indole has a molecular weight of 370.50 g/mol, XLogP of 6.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-(3-methylbutan-2-yl)-3-(5-phenyl-3-pyridinyl)indole is sourced from PubChem (CID 54463085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).