10-[4-(trifluoromethyl)phenyl]-2,3,4,10b-tetrahydro-1H-pyrido[1,2-b]isoindol-6-one

C19H16F3NO — CID 51360980

IUPAC10-[4-(trifluoromethyl)phenyl]-2,3,4,10b-tetrahydro-1H-pyrido[1,2-b]isoindol-6-one
SMILESO=C1c2cccc(-c3ccc(C(F)(F)F)cc3)c2C2CCCCN12
InChIInChI=1S/C19H16F3NO/c20-19(21,22)13-9-7-12(8-10-13)14-4-3-5-15-17(14)16-6-1-2-11-23(16)18(15)24/h3-5,7-10,16H,1-2,6,11H2
InChIKeyFGNCSVAQPOYSKF-UHFFFAOYSA-N
MW331.34 g/mol
LogP5.05
Rot. Bonds1

About 10-[4-(trifluoromethyl)phenyl]-2,3,4,10b-tetrahydro-1H-pyrido[1,2-b]isoindol-6-one

10-[4-(trifluoromethyl)phenyl]-2,3,4,10b-tetrahydro-1H-pyrido[1,2-b]isoindol-6-one (PubChem CID 51360980) has the molecular formula C19H16F3NO and a molecular weight of 331.34 g/mol. Its IUPAC name is 10-[4-(trifluoromethyl)phenyl]-2,3,4,10b-tetrahydro-1H-pyrido[1,2-b]isoindol-6-one.

Molecular Properties

Compound Name10-[4-(trifluoromethyl)phenyl]-2,3,4,10b-tetrahydro-1H-pyrido[1,2-b]isoindol-6-one
PubChem CID51360980
Molecular FormulaC19H16F3NO
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name10-[4-(trifluoromethyl)phenyl]-2,3,4,10b-tetrahydro-1H-pyrido[1,2-b]isoindol-6-one
SMILESO=C1c2cccc(-c3ccc(C(F)(F)F)cc3)c2C2CCCCN12
InChIInChI=1S/C19H16F3NO/c20-19(21,22)13-9-7-12(8-10-13)14-4-3-5-15-17(14)16-6-1-2-11-23(16)18(15)24/h3-5,7-10,16H,1-2,6,11H2
InChIKeyFGNCSVAQPOYSKF-UHFFFAOYSA-N
XLogP5.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.34
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 10-[4-(trifluoromethyl)phenyl]-2,3,4,10b-tetrahydro-1H-pyrido[1,2-b]isoindol-6-one with MolForge

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Related Compounds

2-((1-(2-(4-Fluorophenyl)-2-oxoethyl)-4-piperidinyl)methyl)-2,3-dihydro-1H-isoindol-1-one
CID 9799284
Itareparib
CID 73774960
N-Cyclohexylphthalimide
CID 225739
Nms-P118
CID 49843531
2-Naphthalenyl-1-piperidinylmethanone
CID 593461
2-Benzylisoindolin-1-one
CID 1485883
4,5,6,7-tetrafluoro-2-[(1S)-1-phenylethyl]-2,3-dihydro-1H-isoindole-1,3-dione
CID 9883659
N-(3-Phenylallyl)phthalimide
CID 5389074
CID 49843530
CID 49843530
(1~{R})-2-(1-cyclohexylpiperidin-4-yl)-1-methyl-3-oxidanylidene-1~{H}-isoindole-4-carboxamide
CID 49873226
N,N-diethyl-4-[phenyl-[(1R,5S)-8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide
CID 10093250
N,N-dimethyl-4-[1-oxo-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-6-yl]benzamide
CID 25218397

Frequently Asked Questions

What is the IUPAC name of 10-[4-(trifluoromethyl)phenyl]-2,3,4,10b-tetrahydro-1H-pyrido[1,2-b]isoindol-6-one?
The IUPAC name of 10-[4-(trifluoromethyl)phenyl]-2,3,4,10b-tetrahydro-1H-pyrido[1,2-b]isoindol-6-one (CID 51360980) is 10-[4-(trifluoromethyl)phenyl]-2,3,4,10b-tetrahydro-1H-pyrido[1,2-b]isoindol-6-one.
What is the SMILES notation for 10-[4-(trifluoromethyl)phenyl]-2,3,4,10b-tetrahydro-1H-pyrido[1,2-b]isoindol-6-one?
The canonical SMILES for 10-[4-(trifluoromethyl)phenyl]-2,3,4,10b-tetrahydro-1H-pyrido[1,2-b]isoindol-6-one is O=C1c2cccc(-c3ccc(C(F)(F)F)cc3)c2C2CCCCN12.
What is the InChIKey of 10-[4-(trifluoromethyl)phenyl]-2,3,4,10b-tetrahydro-1H-pyrido[1,2-b]isoindol-6-one?
The InChIKey is FGNCSVAQPOYSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO/c20-19(21,22)13-9-7-12(8-10-13)14-4-3-5-15-17(14)16-6-1-2-11-23(16)18(15)24/h3-5,7-10,16H,1-2,6,11H2.
What are the key properties of 10-[4-(trifluoromethyl)phenyl]-2,3,4,10b-tetrahydro-1H-pyrido[1,2-b]isoindol-6-one?
10-[4-(trifluoromethyl)phenyl]-2,3,4,10b-tetrahydro-1H-pyrido[1,2-b]isoindol-6-one has a molecular weight of 331.34 g/mol, XLogP of 5.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(trifluoromethyl)phenyl]-2,3,4,10b-tetrahydro-1H-pyrido[1,2-b]isoindol-6-one is sourced from PubChem (CID 51360980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).