2-methyl-6-[2,2,2-trifluoro-1-[[5-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]ethyl]-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one

C24H23F6N5O4 — CID 178097181

IUPAC2-methyl-6-[2,2,2-trifluoro-1-[[5-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]ethyl]-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one
SMILESCc1nc2cc(C(F)(F)F)c(C(Oc3ccc(C(=O)N4CC(C)C(O)C(C)C4)cn3)C(F)(F)F)nc2c(=O)[nH]1
InChIInChI=1S/C24H23F6N5O4/c1-10-8-35(9-11(2)19(10)36)22(38)13-4-5-16(31-7-13)39-20(24(28,29)30)17-14(23(25,26)27)6-15-18(34-17)21(37)33-12(3)32-15/h4-7,10-11,19-20,36H,8-9H2,1-3H3,(H,32,33,37)
InChIKeyNTHRTYLVMBQIRN-UHFFFAOYSA-N
MW559.47 g/mol
LogP3.81
Rot. Bonds4

About 2-methyl-6-[2,2,2-trifluoro-1-[[5-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]ethyl]-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one

2-methyl-6-[2,2,2-trifluoro-1-[[5-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]ethyl]-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one (PubChem CID 178097181) has the molecular formula C24H23F6N5O4 and a molecular weight of 559.47 g/mol. Its IUPAC name is 2-methyl-6-[2,2,2-trifluoro-1-[[5-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]ethyl]-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-6-[2,2,2-trifluoro-1-[[5-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]ethyl]-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one
PubChem CID178097181
Molecular FormulaC24H23F6N5O4
Molecular Weight559.47 g/mol
Exact Mass559.17
IUPAC Name2-methyl-6-[2,2,2-trifluoro-1-[[5-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]ethyl]-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one
SMILESCc1nc2cc(C(F)(F)F)c(C(Oc3ccc(C(=O)N4CC(C)C(O)C(C)C4)cn3)C(F)(F)F)nc2c(=O)[nH]1
InChIInChI=1S/C24H23F6N5O4/c1-10-8-35(9-11(2)19(10)36)22(38)13-4-5-16(31-7-13)39-20(24(28,29)30)17-14(23(25,26)27)6-15-18(34-17)21(37)33-12(3)32-15/h4-7,10-11,19-20,36H,8-9H2,1-3H3,(H,32,33,37)
InChIKeyNTHRTYLVMBQIRN-UHFFFAOYSA-N
XLogP3.81
TPSA121.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.47
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-methyl-6-[2,2,2-trifluoro-1-[[5-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]ethyl]-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2,2,2-trifluoro-1-[[5-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]ethyl]-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-6-[2,2,2-trifluoro-1-[[5-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]ethyl]-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one (CID 178097181) is 2-methyl-6-[2,2,2-trifluoro-1-[[5-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]ethyl]-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-6-[2,2,2-trifluoro-1-[[5-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]ethyl]-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-6-[2,2,2-trifluoro-1-[[5-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]ethyl]-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one is Cc1nc2cc(C(F)(F)F)c(C(Oc3ccc(C(=O)N4CC(C)C(O)C(C)C4)cn3)C(F)(F)F)nc2c(=O)[nH]1.
What is the InChIKey of 2-methyl-6-[2,2,2-trifluoro-1-[[5-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]ethyl]-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is NTHRTYLVMBQIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F6N5O4/c1-10-8-35(9-11(2)19(10)36)22(38)13-4-5-16(31-7-13)39-20(24(28,29)30)17-14(23(25,26)27)6-15-18(34-17)21(37)33-12(3)32-15/h4-7,10-11,19-20,36H,8-9H2,1-3H3,(H,32,33,37).
What are the key properties of 2-methyl-6-[2,2,2-trifluoro-1-[[5-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]ethyl]-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one?
2-methyl-6-[2,2,2-trifluoro-1-[[5-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]ethyl]-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 559.47 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2,2,2-trifluoro-1-[[5-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]ethyl]-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 178097181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).