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

C26H24N4O4 — CID 118134495

IUPAC1-[[5-[6-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(-c2cnc(-c3ccc(-c4cnc(OCC5(C(=O)O)CC5)cc4C)cn3)[nH]2)cc1
InChIInChI=1S/C26H24N4O4/c1-16-11-23(34-15-26(9-10-26)25(31)32)28-13-20(16)18-5-8-21(27-12-18)24-29-14-22(30-24)17-3-6-19(33-2)7-4-17/h3-8,11-14H,9-10,15H2,1-2H3,(H,29,30)(H,31,32)
InChIKeyOWKYSIRXVBLACK-UHFFFAOYSA-N
MW456.50 g/mol
LogP4.76
Rot. Bonds8

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

1-[[5-[6-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid (PubChem CID 118134495) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is 1-[[5-[6-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[5-[6-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid
PubChem CID118134495
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC Name1-[[5-[6-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(-c2cnc(-c3ccc(-c4cnc(OCC5(C(=O)O)CC5)cc4C)cn3)[nH]2)cc1
InChIInChI=1S/C26H24N4O4/c1-16-11-23(34-15-26(9-10-26)25(31)32)28-13-20(16)18-5-8-21(27-12-18)24-29-14-22(30-24)17-3-6-19(33-2)7-4-17/h3-8,11-14H,9-10,15H2,1-2H3,(H,29,30)(H,31,32)
InChIKeyOWKYSIRXVBLACK-UHFFFAOYSA-N
XLogP4.76
TPSA110.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[5-[6-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid (CID 118134495) is 1-[[5-[6-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-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]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[5-[6-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid is COc1ccc(-c2cnc(-c3ccc(-c4cnc(OCC5(C(=O)O)CC5)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]cyclopropane-1-carboxylic acid?
The InChIKey is OWKYSIRXVBLACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-16-11-23(34-15-26(9-10-26)25(31)32)28-13-20(16)18-5-8-21(27-12-18)24-29-14-22(30-24)17-3-6-19(33-2)7-4-17/h3-8,11-14H,9-10,15H2,1-2H3,(H,29,30)(H,31,32).
What are the key properties of 1-[[5-[6-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid?
1-[[5-[6-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-3-pyridinyl]-4-methyl-2-pyridinyl]oxymethyl]cyclopropane-1-carboxylic acid has a molecular weight of 456.50 g/mol, XLogP of 4.76, 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]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 118134495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).