2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]-N-pyridin-4-ylacetamide

C23H20FN3O2 — CID 10644045

IUPAC2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]-N-pyridin-4-ylacetamide
SMILESCOc1ccc2c(CC(=O)Nc3ccncc3)cn(Cc3ccc(F)cc3)c2c1
InChIInChI=1S/C23H20FN3O2/c1-29-20-6-7-21-17(12-23(28)26-19-8-10-25-11-9-19)15-27(22(21)13-20)14-16-2-4-18(24)5-3-16/h2-11,13,15H,12,14H2,1H3,(H,25,26,28)
InChIKeyXSMCYUIIDDWLEP-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.41
Rot. Bonds6

About 2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]-N-pyridin-4-ylacetamide

2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]-N-pyridin-4-ylacetamide (PubChem CID 10644045) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]-N-pyridin-4-ylacetamide
PubChem CID10644045
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC Name2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]-N-pyridin-4-ylacetamide
SMILESCOc1ccc2c(CC(=O)Nc3ccncc3)cn(Cc3ccc(F)cc3)c2c1
InChIInChI=1S/C23H20FN3O2/c1-29-20-6-7-21-17(12-23(28)26-19-8-10-25-11-9-19)15-27(22(21)13-20)14-16-2-4-18(24)5-3-16/h2-11,13,15H,12,14H2,1H3,(H,25,26,28)
InChIKeyXSMCYUIIDDWLEP-UHFFFAOYSA-N
XLogP4.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]-N-pyridin-4-ylacetamide (CID 10644045) is 2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]-N-pyridin-4-ylacetamide is COc1ccc2c(CC(=O)Nc3ccncc3)cn(Cc3ccc(F)cc3)c2c1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]-N-pyridin-4-ylacetamide?
The InChIKey is XSMCYUIIDDWLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2/c1-29-20-6-7-21-17(12-23(28)26-19-8-10-25-11-9-19)15-27(22(21)13-20)14-16-2-4-18(24)5-3-16/h2-11,13,15H,12,14H2,1H3,(H,25,26,28).
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]-N-pyridin-4-ylacetamide?
2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]-N-pyridin-4-ylacetamide has a molecular weight of 389.43 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]-6-methoxyindol-3-yl]-N-pyridin-4-ylacetamide is sourced from PubChem (CID 10644045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).