2-(3-hydroxy-2-pyridinyl)-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one

C22H17F3N4O2 — CID 135948925

IUPAC2-(3-hydroxy-2-pyridinyl)-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one
SMILESC[C@H](Cc1ccccc1)n1c(-c2ncccc2O)nc2ccnc(C(F)(F)F)c2c1=O
InChIInChI=1S/C22H17F3N4O2/c1-13(12-14-6-3-2-4-7-14)29-20(18-16(30)8-5-10-26-18)28-15-9-11-27-19(22(23,24)25)17(15)21(29)31/h2-11,13,30H,12H2,1H3/t13-/m1/s1
InChIKeyTZOFZSOZPFEHKY-CYBMUJFWSA-N
MW426.40 g/mol
LogP4.38
Rot. Bonds4

About 2-(3-hydroxy-2-pyridinyl)-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one

2-(3-hydroxy-2-pyridinyl)-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 135948925) has the molecular formula C22H17F3N4O2 and a molecular weight of 426.40 g/mol. Its IUPAC name is 2-(3-hydroxy-2-pyridinyl)-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-hydroxy-2-pyridinyl)-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one
PubChem CID135948925
Molecular FormulaC22H17F3N4O2
Molecular Weight426.40 g/mol
Exact Mass426.13
IUPAC Name2-(3-hydroxy-2-pyridinyl)-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one
SMILESC[C@H](Cc1ccccc1)n1c(-c2ncccc2O)nc2ccnc(C(F)(F)F)c2c1=O
InChIInChI=1S/C22H17F3N4O2/c1-13(12-14-6-3-2-4-7-14)29-20(18-16(30)8-5-10-26-18)28-15-9-11-27-19(22(23,24)25)17(15)21(29)31/h2-11,13,30H,12H2,1H3/t13-/m1/s1
InChIKeyTZOFZSOZPFEHKY-CYBMUJFWSA-N
XLogP4.38
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-hydroxy-2-pyridinyl)-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one with MolForge

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Related Compounds

(R)-2h [PMID:19625189]
CID 135948915
2-(2-Hydroxy-phenyl)-3-phenethyl-5-trifluoromethyl-3H-pyrido[4,3-d]pyri-midin-4-one
CID 135749855
3-[(2R)-1-(3,4-difluorophenyl)propan-2-yl]-2-(3-hydroxypyridin-2-yl)-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one
CID 135948809
2-(3-Hydroxypyridin-2-yl)-3-[2-(2-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one
CID 135948820
3-(2-Cyclohexylethyl)-2-(3-hydroxypyridin-2-yl)-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one
CID 135948839
2-(3-fluoro-2-hydroxyphenyl)-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one
CID 135948850
2-(3-Fluoro-2-hydroxyphenyl)-3-(2-phenylethyl)-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one
CID 135948913
M5I9BC1J6V
CID 135948916
3-[2-(2-Fluorophenyl)ethyl]-2-(3-hydroxypyridin-2-yl)-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one
CID 135948939
3-[2-(2-Fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one
CID 135965932
2-(2-Hydroxyphenyl)-5-methyl-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one
CID 135948888
1-Ethyl-7-[(5-hydroxy-2-pyridinyl)amino]-3-phenyl-1,6-naphthyridin-2-one
CID 118271277

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-pyridinyl)-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(3-hydroxy-2-pyridinyl)-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one (CID 135948925) is 2-(3-hydroxy-2-pyridinyl)-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-hydroxy-2-pyridinyl)-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(3-hydroxy-2-pyridinyl)-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one is C[C@H](Cc1ccccc1)n1c(-c2ncccc2O)nc2ccnc(C(F)(F)F)c2c1=O.
What is the InChIKey of 2-(3-hydroxy-2-pyridinyl)-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is TZOFZSOZPFEHKY-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H17F3N4O2/c1-13(12-14-6-3-2-4-7-14)29-20(18-16(30)8-5-10-26-18)28-15-9-11-27-19(22(23,24)25)17(15)21(29)31/h2-11,13,30H,12H2,1H3/t13-/m1/s1.
What are the key properties of 2-(3-hydroxy-2-pyridinyl)-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one?
2-(3-hydroxy-2-pyridinyl)-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 426.40 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-pyridinyl)-3-[(2R)-1-phenylpropan-2-yl]-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135948925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).