3-hydroxy-2-(1,8-naphthyridin-2-yl)-6-(trifluoromethyl)-3H-isoindol-1-one

C17H10F3N3O2 — CID 21444359

IUPAC3-hydroxy-2-(1,8-naphthyridin-2-yl)-6-(trifluoromethyl)-3H-isoindol-1-one
SMILESO=C1c2cc(C(F)(F)F)ccc2C(O)N1c1ccc2cccnc2n1
InChIInChI=1S/C17H10F3N3O2/c18-17(19,20)10-4-5-11-12(8-10)16(25)23(15(11)24)13-6-3-9-2-1-7-21-14(9)22-13/h1-8,15,24H
InChIKeyCNBCYPYZFGTEDU-UHFFFAOYSA-N
MW345.28 g/mol
LogP3.30
Rot. Bonds1

About 3-hydroxy-2-(1,8-naphthyridin-2-yl)-6-(trifluoromethyl)-3H-isoindol-1-one

3-hydroxy-2-(1,8-naphthyridin-2-yl)-6-(trifluoromethyl)-3H-isoindol-1-one (PubChem CID 21444359) has the molecular formula C17H10F3N3O2 and a molecular weight of 345.28 g/mol. Its IUPAC name is 3-hydroxy-2-(1,8-naphthyridin-2-yl)-6-(trifluoromethyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name3-hydroxy-2-(1,8-naphthyridin-2-yl)-6-(trifluoromethyl)-3H-isoindol-1-one
PubChem CID21444359
Molecular FormulaC17H10F3N3O2
Molecular Weight345.28 g/mol
Exact Mass345.07
IUPAC Name3-hydroxy-2-(1,8-naphthyridin-2-yl)-6-(trifluoromethyl)-3H-isoindol-1-one
SMILESO=C1c2cc(C(F)(F)F)ccc2C(O)N1c1ccc2cccnc2n1
InChIInChI=1S/C17H10F3N3O2/c18-17(19,20)10-4-5-11-12(8-10)16(25)23(15(11)24)13-6-3-9-2-1-7-21-14(9)22-13/h1-8,15,24H
InChIKeyCNBCYPYZFGTEDU-UHFFFAOYSA-N
XLogP3.30
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-2-(1,8-naphthyridin-2-yl)-6-(trifluoromethyl)-3H-isoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(1,8-naphthyridin-2-yl)-6-(trifluoromethyl)-3H-isoindol-1-one?
The IUPAC name of 3-hydroxy-2-(1,8-naphthyridin-2-yl)-6-(trifluoromethyl)-3H-isoindol-1-one (CID 21444359) is 3-hydroxy-2-(1,8-naphthyridin-2-yl)-6-(trifluoromethyl)-3H-isoindol-1-one.
What is the SMILES notation for 3-hydroxy-2-(1,8-naphthyridin-2-yl)-6-(trifluoromethyl)-3H-isoindol-1-one?
The canonical SMILES for 3-hydroxy-2-(1,8-naphthyridin-2-yl)-6-(trifluoromethyl)-3H-isoindol-1-one is O=C1c2cc(C(F)(F)F)ccc2C(O)N1c1ccc2cccnc2n1.
What is the InChIKey of 3-hydroxy-2-(1,8-naphthyridin-2-yl)-6-(trifluoromethyl)-3H-isoindol-1-one?
The InChIKey is CNBCYPYZFGTEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3O2/c18-17(19,20)10-4-5-11-12(8-10)16(25)23(15(11)24)13-6-3-9-2-1-7-21-14(9)22-13/h1-8,15,24H.
What are the key properties of 3-hydroxy-2-(1,8-naphthyridin-2-yl)-6-(trifluoromethyl)-3H-isoindol-1-one?
3-hydroxy-2-(1,8-naphthyridin-2-yl)-6-(trifluoromethyl)-3H-isoindol-1-one has a molecular weight of 345.28 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(1,8-naphthyridin-2-yl)-6-(trifluoromethyl)-3H-isoindol-1-one is sourced from PubChem (CID 21444359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).