3-hydroxy-2-[[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-3H-isoindol-1-one

C20H15F3N4O2 — CID 123283127

IUPAC3-hydroxy-2-[[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-3H-isoindol-1-one
SMILESCc1cc(-c2cnc(C(F)(F)F)nc2)cc(CN2C(=O)c3ccccc3C2O)n1
InChIInChI=1S/C20H15F3N4O2/c1-11-6-12(13-8-24-19(25-9-13)20(21,22)23)7-14(26-11)10-27-17(28)15-4-2-3-5-16(15)18(27)29/h2-9,17,28H,10H2,1H3
InChIKeyWEEQBIWEMDDUBH-UHFFFAOYSA-N
MW400.36 g/mol
LogP3.51
Rot. Bonds3

About 3-hydroxy-2-[[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-3H-isoindol-1-one

3-hydroxy-2-[[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-3H-isoindol-1-one (PubChem CID 123283127) has the molecular formula C20H15F3N4O2 and a molecular weight of 400.36 g/mol. Its IUPAC name is 3-hydroxy-2-[[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name3-hydroxy-2-[[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-3H-isoindol-1-one
PubChem CID123283127
Molecular FormulaC20H15F3N4O2
Molecular Weight400.36 g/mol
Exact Mass400.11
IUPAC Name3-hydroxy-2-[[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-3H-isoindol-1-one
SMILESCc1cc(-c2cnc(C(F)(F)F)nc2)cc(CN2C(=O)c3ccccc3C2O)n1
InChIInChI=1S/C20H15F3N4O2/c1-11-6-12(13-8-24-19(25-9-13)20(21,22)23)7-14(26-11)10-27-17(28)15-4-2-3-5-16(15)18(27)29/h2-9,17,28H,10H2,1H3
InChIKeyWEEQBIWEMDDUBH-UHFFFAOYSA-N
XLogP3.51
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-hydroxy-2-[[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-3H-isoindol-1-one with MolForge

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Related Compounds

1-[4-[(2-Methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-hydroxy-4,4,4-trifluoro-3-phenylbutan-1-one
CID 10789529
2-[2-(Hydroxymethyl)-3-[1-methyl-6-oxo-5-(pyrimidin-4-ylamino)-3-pyridinyl]phenyl]-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1-one
CID 58043734
2-[2-(Hydroxymethyl)-3-[1-methyl-6-oxo-5-(pyrimidin-4-ylamino)-3-pyridinyl]phenyl]-3,4,6,7,8,9-hexahydropyrido[3,4-b]indolizin-1-one
CID 58043863
3-[2-[8-[(3-Fluorophenyl)methyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl]-2-oxoethyl]benzoic acid
CID 89523011
4-[2-[8-[(3-Fluorophenyl)methyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl]-2-oxoethyl]benzoic acid
CID 89523537
1-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]-hydroxymethyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
CID 162655610
3-Hydroxy-2-(4-methyl-2-pyridyl)isoindolin-1-one
CID 9550873
2-{[4-(Pyrimidin-2-yl)piperazin-1-yl]carbonyl}benzoic acid
CID 2815240
2-({2-Phenylimidazo[1,2-A]pyridin-3-YL}carbamoyl)benzoic acid
CID 2888515
3-hydroxy-2-(5-methylpyridin-2-yl)-3H-isoindol-1-one
CID 5308351
2-(2,2-difluoroethyl)-N-ethyl-N-(2-((4-(2-hydroxypropan-2-yl)pyrimidin-2-yl)(methyl)amino)ethyl) benzamide
CID 121416863
N-ethyl-N-(2-((4-(2-hydroxypropan-2-yl)pyrimidin-2-yl)(methyl)amino)ethyl)-2-(2,2,2-trifluoroethyl)benzamide
CID 121427076

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-3H-isoindol-1-one?
The IUPAC name of 3-hydroxy-2-[[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-3H-isoindol-1-one (CID 123283127) is 3-hydroxy-2-[[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-3H-isoindol-1-one.
What is the SMILES notation for 3-hydroxy-2-[[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-3H-isoindol-1-one?
The canonical SMILES for 3-hydroxy-2-[[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-3H-isoindol-1-one is Cc1cc(-c2cnc(C(F)(F)F)nc2)cc(CN2C(=O)c3ccccc3C2O)n1.
What is the InChIKey of 3-hydroxy-2-[[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-3H-isoindol-1-one?
The InChIKey is WEEQBIWEMDDUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2/c1-11-6-12(13-8-24-19(25-9-13)20(21,22)23)7-14(26-11)10-27-17(28)15-4-2-3-5-16(15)18(27)29/h2-9,17,28H,10H2,1H3.
What are the key properties of 3-hydroxy-2-[[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-3H-isoindol-1-one?
3-hydroxy-2-[[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-3H-isoindol-1-one has a molecular weight of 400.36 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-3H-isoindol-1-one is sourced from PubChem (CID 123283127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).