1-[[5-[6-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid

C27H26N4O4 — CID 118134535

IUPAC1-[[5-[6-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid
SMILESCOc1ccc(-c2cnc(-c3ccc(-c4cnc(OCC5(C(=O)O)CCC5)cc4C)cn3)[nH]2)cc1
InChIInChI=1S/C27H26N4O4/c1-17-12-24(35-16-27(26(32)33)10-3-11-27)29-14-21(17)19-6-9-22(28-13-19)25-30-15-23(31-25)18-4-7-20(34-2)8-5-18/h4-9,12-15H,3,10-11,16H2,1-2H3,(H,30,31)(H,32,33)
InChIKeyAWMRUNPAMOWCRR-UHFFFAOYSA-N
MW470.53 g/mol
LogP5.15
Rot. Bonds8

About 1-[[5-[6-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid

1-[[5-[6-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid (PubChem CID 118134535) has the molecular formula C27H26N4O4 and a molecular weight of 470.53 g/mol. Its IUPAC name is 1-[[5-[6-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[5-[6-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid
PubChem CID118134535
Molecular FormulaC27H26N4O4
Molecular Weight470.53 g/mol
Exact Mass470.20
IUPAC Name1-[[5-[6-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid
SMILESCOc1ccc(-c2cnc(-c3ccc(-c4cnc(OCC5(C(=O)O)CCC5)cc4C)cn3)[nH]2)cc1
InChIInChI=1S/C27H26N4O4/c1-17-12-24(35-16-27(26(32)33)10-3-11-27)29-14-21(17)19-6-9-22(28-13-19)25-30-15-23(31-25)18-4-7-20(34-2)8-5-18/h4-9,12-15H,3,10-11,16H2,1-2H3,(H,30,31)(H,32,33)
InChIKeyAWMRUNPAMOWCRR-UHFFFAOYSA-N
XLogP5.15
TPSA110.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.53
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[5-[6-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[6-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[5-[6-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid (CID 118134535) is 1-[[5-[6-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[5-[6-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[5-[6-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid is COc1ccc(-c2cnc(-c3ccc(-c4cnc(OCC5(C(=O)O)CCC5)cc4C)cn3)[nH]2)cc1.
What is the InChIKey of 1-[[5-[6-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid?
The InChIKey is AWMRUNPAMOWCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O4/c1-17-12-24(35-16-27(26(32)33)10-3-11-27)29-14-21(17)19-6-9-22(28-13-19)25-30-15-23(31-25)18-4-7-20(34-2)8-5-18/h4-9,12-15H,3,10-11,16H2,1-2H3,(H,30,31)(H,32,33).
What are the key properties of 1-[[5-[6-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid?
1-[[5-[6-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid has a molecular weight of 470.53 g/mol, XLogP of 5.15, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[6-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 118134535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).