3-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid

C25H25N5O4 — CID 118134544

IUPAC3-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid
SMILESCOc1ccc(-c2cnc(-c3ncc(-c4cnc(OCC(C)(C)C(=O)O)cc4C)cn3)[nH]2)cc1
InChIInChI=1S/C25H25N5O4/c1-15-9-21(34-14-25(2,3)24(31)32)26-12-19(15)17-10-27-22(28-11-17)23-29-13-20(30-23)16-5-7-18(33-4)8-6-16/h5-13H,14H2,1-4H3,(H,29,30)(H,31,32)
InChIKeyOJMPKECTKLVBKQ-UHFFFAOYSA-N
MW459.51 g/mol
LogP4.40
Rot. Bonds8

About 3-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid

3-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid (PubChem CID 118134544) has the molecular formula C25H25N5O4 and a molecular weight of 459.51 g/mol. Its IUPAC name is 3-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid
PubChem CID118134544
Molecular FormulaC25H25N5O4
Molecular Weight459.51 g/mol
Exact Mass459.19
IUPAC Name3-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid
SMILESCOc1ccc(-c2cnc(-c3ncc(-c4cnc(OCC(C)(C)C(=O)O)cc4C)cn3)[nH]2)cc1
InChIInChI=1S/C25H25N5O4/c1-15-9-21(34-14-25(2,3)24(31)32)26-12-19(15)17-10-27-22(28-11-17)23-29-13-20(30-23)16-5-7-18(33-4)8-6-16/h5-13H,14H2,1-4H3,(H,29,30)(H,31,32)
InChIKeyOJMPKECTKLVBKQ-UHFFFAOYSA-N
XLogP4.40
TPSA123.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid (CID 118134544) is 3-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid is COc1ccc(-c2cnc(-c3ncc(-c4cnc(OCC(C)(C)C(=O)O)cc4C)cn3)[nH]2)cc1.
What is the InChIKey of 3-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid?
The InChIKey is OJMPKECTKLVBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4/c1-15-9-21(34-14-25(2,3)24(31)32)26-12-19(15)17-10-27-22(28-11-17)23-29-13-20(30-23)16-5-7-18(33-4)8-6-16/h5-13H,14H2,1-4H3,(H,29,30)(H,31,32).
What are the key properties of 3-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid?
3-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid has a molecular weight of 459.51 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 118134544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).