1-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid

C26H25N5O4 — CID 118134533

IUPAC1-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid
SMILESCOc1ccc(-c2cnc(-c3ncc(-c4cnc(OCC5(C(=O)O)CCC5)cc4C)cn3)[nH]2)cc1
InChIInChI=1S/C26H25N5O4/c1-16-10-22(35-15-26(25(32)33)8-3-9-26)27-13-20(16)18-11-28-23(29-12-18)24-30-14-21(31-24)17-4-6-19(34-2)7-5-17/h4-7,10-14H,3,8-9,15H2,1-2H3,(H,30,31)(H,32,33)
InChIKeyZTAXELDTHNMGLK-UHFFFAOYSA-N
MW471.52 g/mol
LogP4.55
Rot. Bonds8

About 1-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid

1-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid (PubChem CID 118134533) has the molecular formula C26H25N5O4 and a molecular weight of 471.52 g/mol. Its IUPAC name is 1-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid
PubChem CID118134533
Molecular FormulaC26H25N5O4
Molecular Weight471.52 g/mol
Exact Mass471.19
IUPAC Name1-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid
SMILESCOc1ccc(-c2cnc(-c3ncc(-c4cnc(OCC5(C(=O)O)CCC5)cc4C)cn3)[nH]2)cc1
InChIInChI=1S/C26H25N5O4/c1-16-10-22(35-15-26(25(32)33)8-3-9-26)27-13-20(16)18-11-28-23(29-12-18)24-30-14-21(31-24)17-4-6-19(34-2)7-5-17/h4-7,10-14H,3,8-9,15H2,1-2H3,(H,30,31)(H,32,33)
InChIKeyZTAXELDTHNMGLK-UHFFFAOYSA-N
XLogP4.55
TPSA123.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid (CID 118134533) is 1-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid is COc1ccc(-c2cnc(-c3ncc(-c4cnc(OCC5(C(=O)O)CCC5)cc4C)cn3)[nH]2)cc1.
What is the InChIKey of 1-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid?
The InChIKey is ZTAXELDTHNMGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4/c1-16-10-22(35-15-26(25(32)33)8-3-9-26)27-13-20(16)18-11-28-23(29-12-18)24-30-14-21(31-24)17-4-6-19(34-2)7-5-17/h4-7,10-14H,3,8-9,15H2,1-2H3,(H,30,31)(H,32,33).
What are the key properties of 1-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid?
1-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid has a molecular weight of 471.52 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrimidin-5-yl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 118134533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).