6-(4-fluorophenyl)-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2,3-dihydroisoindol-1-one

C22H19FN2O2 — CID 171097859

IUPAC6-(4-fluorophenyl)-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2,3-dihydroisoindol-1-one
SMILESCC(C)(O)c1ccc(-c2cc3c(cc2-c2ccc(F)cc2)C(=O)NC3)cn1
InChIInChI=1S/C22H19FN2O2/c1-22(2,27)20-8-5-14(11-24-20)17-9-15-12-25-21(26)19(15)10-18(17)13-3-6-16(23)7-4-13/h3-11,27H,12H2,1-2H3,(H,25,26)
InChIKeyBTEDZQVDATUWPK-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.03
Rot. Bonds3

About 6-(4-fluorophenyl)-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2,3-dihydroisoindol-1-one

6-(4-fluorophenyl)-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2,3-dihydroisoindol-1-one (PubChem CID 171097859) has the molecular formula C22H19FN2O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2,3-dihydroisoindol-1-one
PubChem CID171097859
Molecular FormulaC22H19FN2O2
Molecular Weight362.40 g/mol
Exact Mass362.14
IUPAC Name6-(4-fluorophenyl)-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2,3-dihydroisoindol-1-one
SMILESCC(C)(O)c1ccc(-c2cc3c(cc2-c2ccc(F)cc2)C(=O)NC3)cn1
InChIInChI=1S/C22H19FN2O2/c1-22(2,27)20-8-5-14(11-24-20)17-9-15-12-25-21(26)19(15)10-18(17)13-3-6-16(23)7-4-13/h3-11,27H,12H2,1-2H3,(H,25,26)
InChIKeyBTEDZQVDATUWPK-UHFFFAOYSA-N
XLogP4.03
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-(4-fluorophenyl)-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2,3-dihydroisoindol-1-one (CID 171097859) is 6-(4-fluorophenyl)-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-(4-fluorophenyl)-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-(4-fluorophenyl)-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2,3-dihydroisoindol-1-one is CC(C)(O)c1ccc(-c2cc3c(cc2-c2ccc(F)cc2)C(=O)NC3)cn1.
What is the InChIKey of 6-(4-fluorophenyl)-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2,3-dihydroisoindol-1-one?
The InChIKey is BTEDZQVDATUWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2/c1-22(2,27)20-8-5-14(11-24-20)17-9-15-12-25-21(26)19(15)10-18(17)13-3-6-16(23)7-4-13/h3-11,27H,12H2,1-2H3,(H,25,26).
What are the key properties of 6-(4-fluorophenyl)-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2,3-dihydroisoindol-1-one?
6-(4-fluorophenyl)-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2,3-dihydroisoindol-1-one has a molecular weight of 362.40 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 171097859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).