1-[2-hydroxy-4-(2-methoxy-5-pyrimidin-5-ylphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1,6-naphthyridin-4-one

C26H25F3N4O3 — CID 11584148

IUPAC1-[2-hydroxy-4-(2-methoxy-5-pyrimidin-5-ylphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1,6-naphthyridin-4-one
SMILESCOc1ccc(-c2cncnc2)cc1C(C)(C)CC(O)(Cn1ccc(=O)c2cnccc21)C(F)(F)F
InChIInChI=1S/C26H25F3N4O3/c1-24(2,20-10-17(4-5-23(20)36-3)18-11-31-16-32-12-18)14-25(35,26(27,28)29)15-33-9-7-22(34)19-13-30-8-6-21(19)33/h4-13,16,35H,14-15H2,1-3H3
InChIKeyUDEJJEZYLTYQFQ-UHFFFAOYSA-N
MW498.51 g/mol
LogP4.52
Rot. Bonds7

About 1-[2-hydroxy-4-(2-methoxy-5-pyrimidin-5-ylphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1,6-naphthyridin-4-one

1-[2-hydroxy-4-(2-methoxy-5-pyrimidin-5-ylphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1,6-naphthyridin-4-one (PubChem CID 11584148) has the molecular formula C26H25F3N4O3 and a molecular weight of 498.51 g/mol. Its IUPAC name is 1-[2-hydroxy-4-(2-methoxy-5-pyrimidin-5-ylphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name1-[2-hydroxy-4-(2-methoxy-5-pyrimidin-5-ylphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1,6-naphthyridin-4-one
PubChem CID11584148
Molecular FormulaC26H25F3N4O3
Molecular Weight498.51 g/mol
Exact Mass498.19
IUPAC Name1-[2-hydroxy-4-(2-methoxy-5-pyrimidin-5-ylphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1,6-naphthyridin-4-one
SMILESCOc1ccc(-c2cncnc2)cc1C(C)(C)CC(O)(Cn1ccc(=O)c2cnccc21)C(F)(F)F
InChIInChI=1S/C26H25F3N4O3/c1-24(2,20-10-17(4-5-23(20)36-3)18-11-31-16-32-12-18)14-25(35,26(27,28)29)15-33-9-7-22(34)19-13-30-8-6-21(19)33/h4-13,16,35H,14-15H2,1-3H3
InChIKeyUDEJJEZYLTYQFQ-UHFFFAOYSA-N
XLogP4.52
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.51
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-4-(2-methoxy-5-pyrimidin-5-ylphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1,6-naphthyridin-4-one?
The IUPAC name of 1-[2-hydroxy-4-(2-methoxy-5-pyrimidin-5-ylphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1,6-naphthyridin-4-one (CID 11584148) is 1-[2-hydroxy-4-(2-methoxy-5-pyrimidin-5-ylphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1,6-naphthyridin-4-one.
What is the SMILES notation for 1-[2-hydroxy-4-(2-methoxy-5-pyrimidin-5-ylphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1,6-naphthyridin-4-one?
The canonical SMILES for 1-[2-hydroxy-4-(2-methoxy-5-pyrimidin-5-ylphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1,6-naphthyridin-4-one is COc1ccc(-c2cncnc2)cc1C(C)(C)CC(O)(Cn1ccc(=O)c2cnccc21)C(F)(F)F.
What is the InChIKey of 1-[2-hydroxy-4-(2-methoxy-5-pyrimidin-5-ylphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1,6-naphthyridin-4-one?
The InChIKey is UDEJJEZYLTYQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O3/c1-24(2,20-10-17(4-5-23(20)36-3)18-11-31-16-32-12-18)14-25(35,26(27,28)29)15-33-9-7-22(34)19-13-30-8-6-21(19)33/h4-13,16,35H,14-15H2,1-3H3.
What are the key properties of 1-[2-hydroxy-4-(2-methoxy-5-pyrimidin-5-ylphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1,6-naphthyridin-4-one?
1-[2-hydroxy-4-(2-methoxy-5-pyrimidin-5-ylphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1,6-naphthyridin-4-one has a molecular weight of 498.51 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-4-(2-methoxy-5-pyrimidin-5-ylphenyl)-4-methyl-2-(trifluoromethyl)pentyl]-1,6-naphthyridin-4-one is sourced from PubChem (CID 11584148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).