2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3-hydroxy-3H-isoindol-1-one

C22H23FN2O2 — CID 14476370

IUPAC2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3-hydroxy-3H-isoindol-1-one
SMILESO=C1c2ccccc2C(O)N1CCCN1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H23FN2O2/c23-18-8-6-16(7-9-18)17-10-14-24(15-11-17)12-3-13-25-21(26)19-4-1-2-5-20(19)22(25)27/h1-2,4-10,21,26H,3,11-15H2
InChIKeyPMYDLPNVDSCKIM-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.45
Rot. Bonds5

About 2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3-hydroxy-3H-isoindol-1-one

2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3-hydroxy-3H-isoindol-1-one (PubChem CID 14476370) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3-hydroxy-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3-hydroxy-3H-isoindol-1-one
PubChem CID14476370
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3-hydroxy-3H-isoindol-1-one
SMILESO=C1c2ccccc2C(O)N1CCCN1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H23FN2O2/c23-18-8-6-16(7-9-18)17-10-14-24(15-11-17)12-3-13-25-21(26)19-4-1-2-5-20(19)22(25)27/h1-2,4-10,21,26H,3,11-15H2
InChIKeyPMYDLPNVDSCKIM-UHFFFAOYSA-N
XLogP3.45
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3-hydroxy-3H-isoindol-1-one?
The IUPAC name of 2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3-hydroxy-3H-isoindol-1-one (CID 14476370) is 2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3-hydroxy-3H-isoindol-1-one.
What is the SMILES notation for 2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3-hydroxy-3H-isoindol-1-one?
The canonical SMILES for 2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3-hydroxy-3H-isoindol-1-one is O=C1c2ccccc2C(O)N1CCCN1CC=C(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3-hydroxy-3H-isoindol-1-one?
The InChIKey is PMYDLPNVDSCKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c23-18-8-6-16(7-9-18)17-10-14-24(15-11-17)12-3-13-25-21(26)19-4-1-2-5-20(19)22(25)27/h1-2,4-10,21,26H,3,11-15H2.
What are the key properties of 2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3-hydroxy-3H-isoindol-1-one?
2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3-hydroxy-3H-isoindol-1-one has a molecular weight of 366.44 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3-hydroxy-3H-isoindol-1-one is sourced from PubChem (CID 14476370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).