3-[2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one

C22H18F3N5O2 — CID 133325247

IUPAC3-[2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1cccc2c1CCN(c1cc(C(F)(F)F)nc(-c3cccnc3)n1)C2
InChIInChI=1S/C22H18F3N5O2/c23-22(24,25)18-11-19(28-20(27-18)14-4-2-7-26-12-14)29-8-6-16-15(13-29)3-1-5-17(16)30-9-10-32-21(30)31/h1-5,7,11-12H,6,8-10,13H2
InChIKeyKQYKMDGDMLVBET-UHFFFAOYSA-N
MW441.41 g/mol
LogP4.08
Rot. Bonds3

About 3-[2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one

3-[2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one (PubChem CID 133325247) has the molecular formula C22H18F3N5O2 and a molecular weight of 441.41 g/mol. Its IUPAC name is 3-[2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one
PubChem CID133325247
Molecular FormulaC22H18F3N5O2
Molecular Weight441.41 g/mol
Exact Mass441.14
IUPAC Name3-[2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1cccc2c1CCN(c1cc(C(F)(F)F)nc(-c3cccnc3)n1)C2
InChIInChI=1S/C22H18F3N5O2/c23-22(24,25)18-11-19(28-20(27-18)14-4-2-7-26-12-14)29-8-6-16-15(13-29)3-1-5-17(16)30-9-10-32-21(30)31/h1-5,7,11-12H,6,8-10,13H2
InChIKeyKQYKMDGDMLVBET-UHFFFAOYSA-N
XLogP4.08
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[2-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one
CID 133325127
3-[2-(6-methyl-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one
CID 75509881
3-[2-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one
CID 133325144
5-methoxy-2-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 133450526
1-methyl-2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 133343923
(3R)-3-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine
CID 95629224
3-[2-(4-chloro-8-fluoroquinolin-7-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one
CID 133325047
2-fluoro-6-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]benzonitrile
CID 133325236
1-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid
CID 122048560
3-[2-(2,6-dichloro-4-nitrophenyl)-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one
CID 133484561
3-[2-[4-(4-fluorophenoxy)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one
CID 133325225
5-chloro-6-[5-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]pyridine-3-carboxamide
CID 133325177

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one (CID 133325247) is 3-[2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one is O=C1OCCN1c1cccc2c1CCN(c1cc(C(F)(F)F)nc(-c3cccnc3)n1)C2.
What is the InChIKey of 3-[2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one?
The InChIKey is KQYKMDGDMLVBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O2/c23-22(24,25)18-11-19(28-20(27-18)14-4-2-7-26-12-14)29-8-6-16-15(13-29)3-1-5-17(16)30-9-10-32-21(30)31/h1-5,7,11-12H,6,8-10,13H2.
What are the key properties of 3-[2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one?
3-[2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one has a molecular weight of 441.41 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 133325247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).