1-(2,6-dimethylmorpholin-4-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butan-1-one

C23H26FN3O2 — CID 18833257

IUPAC1-(2,6-dimethylmorpholin-4-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butan-1-one
SMILESCC1CN(C(=O)CCCc2c(-c3ccccn3)[nH]c3ccc(F)cc23)CC(C)O1
InChIInChI=1S/C23H26FN3O2/c1-15-13-27(14-16(2)29-15)22(28)8-5-6-18-19-12-17(24)9-10-20(19)26-23(18)21-7-3-4-11-25-21/h3-4,7,9-12,15-16,26H,5-6,8,13-14H2,1-2H3
InChIKeyVCDXCDCQQIYXPT-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.33
Rot. Bonds5

About 1-(2,6-dimethylmorpholin-4-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butan-1-one

1-(2,6-dimethylmorpholin-4-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butan-1-one (PubChem CID 18833257) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butan-1-one
PubChem CID18833257
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butan-1-one
SMILESCC1CN(C(=O)CCCc2c(-c3ccccn3)[nH]c3ccc(F)cc23)CC(C)O1
InChIInChI=1S/C23H26FN3O2/c1-15-13-27(14-16(2)29-15)22(28)8-5-6-18-19-12-17(24)9-10-20(19)26-23(18)21-7-3-4-11-25-21/h3-4,7,9-12,15-16,26H,5-6,8,13-14H2,1-2H3
InChIKeyVCDXCDCQQIYXPT-UHFFFAOYSA-N
XLogP4.33
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butan-1-one?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butan-1-one (CID 18833257) is 1-(2,6-dimethylmorpholin-4-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butan-1-one.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butan-1-one?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butan-1-one is CC1CN(C(=O)CCCc2c(-c3ccccn3)[nH]c3ccc(F)cc23)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butan-1-one?
The InChIKey is VCDXCDCQQIYXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-15-13-27(14-16(2)29-15)22(28)8-5-6-18-19-12-17(24)9-10-20(19)26-23(18)21-7-3-4-11-25-21/h3-4,7,9-12,15-16,26H,5-6,8,13-14H2,1-2H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butan-1-one?
1-(2,6-dimethylmorpholin-4-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butan-1-one has a molecular weight of 395.48 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butan-1-one is sourced from PubChem (CID 18833257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).