1-(2-fluoroethyl)-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one

C17H18FN3O — CID 86582076

IUPAC1-(2-fluoroethyl)-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one
SMILESCc1ncc(-c2ccc3c(c2)N(CCF)C(=O)C3(C)C)cn1
InChIInChI=1S/C17H18FN3O/c1-11-19-9-13(10-20-11)12-4-5-14-15(8-12)21(7-6-18)16(22)17(14,2)3/h4-5,8-10H,6-7H2,1-3H3
InChIKeyWULASGWRMWVCER-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.05
Rot. Bonds3

About 1-(2-fluoroethyl)-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one

1-(2-fluoroethyl)-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one (PubChem CID 86582076) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one
PubChem CID86582076
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name1-(2-fluoroethyl)-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one
SMILESCc1ncc(-c2ccc3c(c2)N(CCF)C(=O)C3(C)C)cn1
InChIInChI=1S/C17H18FN3O/c1-11-19-9-13(10-20-11)12-4-5-14-15(8-12)21(7-6-18)16(22)17(14,2)3/h4-5,8-10H,6-7H2,1-3H3
InChIKeyWULASGWRMWVCER-UHFFFAOYSA-N
XLogP3.05
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one?
The IUPAC name of 1-(2-fluoroethyl)-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one (CID 86582076) is 1-(2-fluoroethyl)-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one.
What is the SMILES notation for 1-(2-fluoroethyl)-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one?
The canonical SMILES for 1-(2-fluoroethyl)-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one is Cc1ncc(-c2ccc3c(c2)N(CCF)C(=O)C3(C)C)cn1.
What is the InChIKey of 1-(2-fluoroethyl)-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one?
The InChIKey is WULASGWRMWVCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c1-11-19-9-13(10-20-11)12-4-5-14-15(8-12)21(7-6-18)16(22)17(14,2)3/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 1-(2-fluoroethyl)-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one?
1-(2-fluoroethyl)-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one has a molecular weight of 299.35 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3,3-dimethyl-6-(2-methylpyrimidin-5-yl)indol-2-one is sourced from PubChem (CID 86582076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).