[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol;2-[[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione

C32H23F6N7O3 — CID 160948933

IUPAC[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol;2-[[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione
SMILESCc1cnc(-c2cnc(C(F)(F)F)nc2)cc1CN1C(=O)c2ccccc2C1=O.Cc1cnc(-c2cnc(C(F)(F)F)nc2)cc1CO
InChIInChI=1S/C20H13F3N4O2.C12H10F3N3O/c1-11-7-24-16(13-8-25-19(26-9-13)20(21,22)23)6-12(11)10-27-17(28)14-4-2-3-5-15(14)18(27)29;1-7-3-16-10(2-8(7)6-19)9-4-17-11(18-5-9)12(13,14)15/h2-9H,10H2,1H3;2-5,19H,6H2,1H3
InChIKeySVMNQUZSQWFJQX-UHFFFAOYSA-N
MW667.57 g/mol
LogP6.02
Rot. Bonds5

About [5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol;2-[[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione

[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol;2-[[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione (PubChem CID 160948933) has the molecular formula C32H23F6N7O3 and a molecular weight of 667.57 g/mol. Its IUPAC name is [5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol;2-[[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol;2-[[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione
PubChem CID160948933
Molecular FormulaC32H23F6N7O3
Molecular Weight667.57 g/mol
Exact Mass667.18
IUPAC Name[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol;2-[[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione
SMILESCc1cnc(-c2cnc(C(F)(F)F)nc2)cc1CN1C(=O)c2ccccc2C1=O.Cc1cnc(-c2cnc(C(F)(F)F)nc2)cc1CO
InChIInChI=1S/C20H13F3N4O2.C12H10F3N3O/c1-11-7-24-16(13-8-25-19(26-9-13)20(21,22)23)6-12(11)10-27-17(28)14-4-2-3-5-15(14)18(27)29;1-7-3-16-10(2-8(7)6-19)9-4-17-11(18-5-9)12(13,14)15/h2-9H,10H2,1H3;2-5,19H,6H2,1H3
InChIKeySVMNQUZSQWFJQX-UHFFFAOYSA-N
XLogP6.02
TPSA134.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.57
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol;2-[[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione with MolForge

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Related Compounds

[4-fluoro-4-[(R)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-(2-pyrimidin-4-yl-3-pyridinyl)methanone
CID 163385559
[4-fluoro-4-[(S)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-(2-pyrimidin-4-yl-3-pyridinyl)methanone
CID 163385981
3-Fluoro-4-[[5-fluoro-7-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]benzoic acid
CID 58057672
4-[[7-[1-(5-Ethylpyrimidin-2-yl)piperidin-4-yl]-5-fluoropyrrolo[2,3-d]pyrimidin-4-yl]methyl]-3-(trifluoromethyl)benzoic acid
CID 58057725
2-[5-[[2-Methyl-7-oxo-4-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-8-yl]methyl]pyridin-2-yl]benzoic acid
CID 58153547
2-[(E)-2-[4-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]pyrimidin-5-yl]ethenyl]isoindole-1,3-dione
CID 68898754
2-[2-[4-[Hydroxy-[4-(trifluoromethyl)phenyl]methyl]pyrimidin-5-yl]ethenyl]isoindole-1,3-dione
CID 68898757
2-([5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl]methyl)-2,3-dihydro-1H-isoindole-1,3-dione
CID 118007970
2-([2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl]methyl)-2,3-dihydro-1H-isoindole-1,3-dione
CID 118008005
2-([5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl]methyl)-2,3-dihydro-1H-isoindole-1,3-dione
CID 118008827
4-[2-Oxo-2-[8-[[2-(trifluoromethyl)pyridin-4-yl]methyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl]ethyl]benzoic acid
CID 121468535
3-hydroxy-2-[[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-3H-isoindol-1-one
CID 123283127

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol;2-[[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione?
The IUPAC name of [5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol;2-[[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione (CID 160948933) is [5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol;2-[[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for [5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol;2-[[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione?
The canonical SMILES for [5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol;2-[[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione is Cc1cnc(-c2cnc(C(F)(F)F)nc2)cc1CN1C(=O)c2ccccc2C1=O.Cc1cnc(-c2cnc(C(F)(F)F)nc2)cc1CO.
What is the InChIKey of [5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol;2-[[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione?
The InChIKey is SVMNQUZSQWFJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O2.C12H10F3N3O/c1-11-7-24-16(13-8-25-19(26-9-13)20(21,22)23)6-12(11)10-27-17(28)14-4-2-3-5-15(14)18(27)29;1-7-3-16-10(2-8(7)6-19)9-4-17-11(18-5-9)12(13,14)15/h2-9H,10H2,1H3;2-5,19H,6H2,1H3.
What are the key properties of [5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol;2-[[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione?
[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol;2-[[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione has a molecular weight of 667.57 g/mol, XLogP of 6.02, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methanol;2-[[5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 160948933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).