2-[[2-cyclopropyl-6-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrimidin-4-yl]methyl]isoindole-1,3-dione

C22H20F3N3O3 — CID 122455862

IUPAC2-[[2-cyclopropyl-6-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrimidin-4-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cc(OCCC2(C(F)(F)F)CC2)nc(C2CC2)n1
InChIInChI=1S/C22H20F3N3O3/c23-22(24,25)21(7-8-21)9-10-31-17-11-14(26-18(27-17)13-5-6-13)12-28-19(29)15-3-1-2-4-16(15)20(28)30/h1-4,11,13H,5-10,12H2
InChIKeyAPEAZISLVJOPLQ-UHFFFAOYSA-N
MW431.41 g/mol
LogP4.26
Rot. Bonds7

About 2-[[2-cyclopropyl-6-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrimidin-4-yl]methyl]isoindole-1,3-dione

2-[[2-cyclopropyl-6-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrimidin-4-yl]methyl]isoindole-1,3-dione (PubChem CID 122455862) has the molecular formula C22H20F3N3O3 and a molecular weight of 431.41 g/mol. Its IUPAC name is 2-[[2-cyclopropyl-6-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrimidin-4-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[2-cyclopropyl-6-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrimidin-4-yl]methyl]isoindole-1,3-dione
PubChem CID122455862
Molecular FormulaC22H20F3N3O3
Molecular Weight431.41 g/mol
Exact Mass431.15
IUPAC Name2-[[2-cyclopropyl-6-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrimidin-4-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1cc(OCCC2(C(F)(F)F)CC2)nc(C2CC2)n1
InChIInChI=1S/C22H20F3N3O3/c23-22(24,25)21(7-8-21)9-10-31-17-11-14(26-18(27-17)13-5-6-13)12-28-19(29)15-3-1-2-4-16(15)20(28)30/h1-4,11,13H,5-10,12H2
InChIKeyAPEAZISLVJOPLQ-UHFFFAOYSA-N
XLogP4.26
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[[2-cyclopropyl-6-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrimidin-4-yl]methyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-[(1-tert-butylcyclopropyl)methyl]isoindole-1,3-dione
CID 89486758
2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione
CID 91811095
2-[[6-cyclopropyl-8-(4-fluoropiperidin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione;hydrochloride
CID 165131719
2-[[8-(azetidin-3-yl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione
CID 165131617
2-[(4-pyrrolidin-3-yl-2-pyridinyl)methyl]isoindole-1,3-dione;hydrochloride
CID 156819355
[4-chloro-6-[(1,3-dioxoisoindol-2-yl)methyl]-2-pyridinyl] carbamate
CID 175184311
2-[(1,3-dioxoisoindol-2-yl)methyl]pyridine-4-carboxylic acid
CID 114324415
2-[[6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]methyl]isoindole-1,3-dione
CID 122456085
2-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione
CID 165132782
2-cyclopropyl-N-ethyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794820
2-[[2-(trifluoromethyl)-3-pyridinyl]methyl]isoindole-1,3-dione
CID 171372642
2-[(5-chloropyrazin-2-yl)methyl]isoindole-1,3-dione
CID 103054453

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyclopropyl-6-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrimidin-4-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[2-cyclopropyl-6-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrimidin-4-yl]methyl]isoindole-1,3-dione (CID 122455862) is 2-[[2-cyclopropyl-6-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrimidin-4-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[2-cyclopropyl-6-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrimidin-4-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[2-cyclopropyl-6-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrimidin-4-yl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1cc(OCCC2(C(F)(F)F)CC2)nc(C2CC2)n1.
What is the InChIKey of 2-[[2-cyclopropyl-6-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrimidin-4-yl]methyl]isoindole-1,3-dione?
The InChIKey is APEAZISLVJOPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O3/c23-22(24,25)21(7-8-21)9-10-31-17-11-14(26-18(27-17)13-5-6-13)12-28-19(29)15-3-1-2-4-16(15)20(28)30/h1-4,11,13H,5-10,12H2.
What are the key properties of 2-[[2-cyclopropyl-6-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrimidin-4-yl]methyl]isoindole-1,3-dione?
2-[[2-cyclopropyl-6-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrimidin-4-yl]methyl]isoindole-1,3-dione has a molecular weight of 431.41 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyclopropyl-6-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrimidin-4-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 122455862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).