6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile

C23H19F3N4O2 — CID 137373546

IUPAC6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile
SMILESCN1Cc2ccc(-c3nc(C#N)ccc3-c3cnc(CC(C)(C)C(F)(F)F)o3)cc2C1=O
InChIInChI=1S/C23H19F3N4O2/c1-22(2,23(24,25)26)9-19-28-11-18(32-19)16-7-6-15(10-27)29-20(16)13-4-5-14-12-30(3)21(31)17(14)8-13/h4-8,11H,9,12H2,1-3H3
InChIKeyHIZLQERXRMEYQT-UHFFFAOYSA-N
MW440.43 g/mol
LogP4.99
Rot. Bonds4

About 6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile

6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile (PubChem CID 137373546) has the molecular formula C23H19F3N4O2 and a molecular weight of 440.43 g/mol. Its IUPAC name is 6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile
PubChem CID137373546
Molecular FormulaC23H19F3N4O2
Molecular Weight440.43 g/mol
Exact Mass440.15
IUPAC Name6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile
SMILESCN1Cc2ccc(-c3nc(C#N)ccc3-c3cnc(CC(C)(C)C(F)(F)F)o3)cc2C1=O
InChIInChI=1S/C23H19F3N4O2/c1-22(2,23(24,25)26)9-19-28-11-18(32-19)16-7-6-15(10-27)29-20(16)13-4-5-14-12-30(3)21(31)17(14)8-13/h4-8,11H,9,12H2,1-3H3
InChIKeyHIZLQERXRMEYQT-UHFFFAOYSA-N
XLogP4.99
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

6-quinolin-7-yl-5-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile
CID 137388784
6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-(1,3-oxazol-5-yl)pyridine-2-carbonitrile
CID 137394542
6-[3-[2-(cyclopentylmethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-2-methyl-3H-isoindol-1-one
CID 137373565
6-(2-methylimidazo[1,2-a]pyridin-7-yl)-5-[2-(3,3,3-trifluoropropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile
CID 137373610
6-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)-5-[1-(2-fluoro-2-methylpentyl)pyrazol-4-yl]pyridine-2-carbonitrile
CID 142510542
5-[2-(2-methylpropyl)-1,3-oxazol-5-yl]-6-quinolin-7-ylpyridine-2-carbonitrile
CID 137373540
5-[2-(cyclopropylmethyl)-1,3-oxazol-5-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile
CID 137373800
6-[2-(2-fluoroethyl)-3-oxo-1H-isoindol-5-yl]-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 129285848
5-[2-(2-cyclopropyl-2-fluoroethyl)-1,3-oxazol-5-yl]-6-imidazo[1,2-a]pyridin-7-ylpyridine-2-carbonitrile
CID 137374261
2-methyl-6-(trifluoromethoxy)-3H-isoindol-1-one
CID 71177037
6-tert-butyl-2-methyl-3H-isoindol-1-one
CID 58124079
6-[6-chloro-3-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-pyridinyl]-2-methyl-3H-isoindol-1-one
CID 129282235

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile (CID 137373546) is 6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile is CN1Cc2ccc(-c3nc(C#N)ccc3-c3cnc(CC(C)(C)C(F)(F)F)o3)cc2C1=O.
What is the InChIKey of 6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile?
The InChIKey is HIZLQERXRMEYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2/c1-22(2,23(24,25)26)9-19-28-11-18(32-19)16-7-6-15(10-27)29-20(16)13-4-5-14-12-30(3)21(31)17(14)8-13/h4-8,11H,9,12H2,1-3H3.
What are the key properties of 6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile?
6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile has a molecular weight of 440.43 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-3-oxo-1H-isoindol-5-yl)-5-[2-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazol-5-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 137373546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).