2-[2-methoxy-5-[6-[(4-methylphenoxy)methyl]pyridazin-4-yl]phenyl]cyclopropane-1-carboxylic acid

C23H22N2O4 — CID 167637444

IUPAC2-[2-methoxy-5-[6-[(4-methylphenoxy)methyl]pyridazin-4-yl]phenyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(-c2cnnc(COc3ccc(C)cc3)c2)cc1C1CC1C(=O)O
InChIInChI=1S/C23H22N2O4/c1-14-3-6-18(7-4-14)29-13-17-9-16(12-24-25-17)15-5-8-22(28-2)20(10-15)19-11-21(19)23(26)27/h3-10,12,19,21H,11,13H2,1-2H3,(H,26,27)
InChIKeyUDLKCUJXWVPYOW-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.23
Rot. Bonds7

About 2-[2-methoxy-5-[6-[(4-methylphenoxy)methyl]pyridazin-4-yl]phenyl]cyclopropane-1-carboxylic acid

2-[2-methoxy-5-[6-[(4-methylphenoxy)methyl]pyridazin-4-yl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 167637444) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-[2-methoxy-5-[6-[(4-methylphenoxy)methyl]pyridazin-4-yl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-methoxy-5-[6-[(4-methylphenoxy)methyl]pyridazin-4-yl]phenyl]cyclopropane-1-carboxylic acid
PubChem CID167637444
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name2-[2-methoxy-5-[6-[(4-methylphenoxy)methyl]pyridazin-4-yl]phenyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(-c2cnnc(COc3ccc(C)cc3)c2)cc1C1CC1C(=O)O
InChIInChI=1S/C23H22N2O4/c1-14-3-6-18(7-4-14)29-13-17-9-16(12-24-25-17)15-5-8-22(28-2)20(10-15)19-11-21(19)23(26)27/h3-10,12,19,21H,11,13H2,1-2H3,(H,26,27)
InChIKeyUDLKCUJXWVPYOW-UHFFFAOYSA-N
XLogP4.23
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-[6-[(4-methylphenoxy)methyl]pyridazin-4-yl]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-methoxy-5-[6-[(4-methylphenoxy)methyl]pyridazin-4-yl]phenyl]cyclopropane-1-carboxylic acid (CID 167637444) is 2-[2-methoxy-5-[6-[(4-methylphenoxy)methyl]pyridazin-4-yl]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-methoxy-5-[6-[(4-methylphenoxy)methyl]pyridazin-4-yl]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-methoxy-5-[6-[(4-methylphenoxy)methyl]pyridazin-4-yl]phenyl]cyclopropane-1-carboxylic acid is COc1ccc(-c2cnnc(COc3ccc(C)cc3)c2)cc1C1CC1C(=O)O.
What is the InChIKey of 2-[2-methoxy-5-[6-[(4-methylphenoxy)methyl]pyridazin-4-yl]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is UDLKCUJXWVPYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-14-3-6-18(7-4-14)29-13-17-9-16(12-24-25-17)15-5-8-22(28-2)20(10-15)19-11-21(19)23(26)27/h3-10,12,19,21H,11,13H2,1-2H3,(H,26,27).
What are the key properties of 2-[2-methoxy-5-[6-[(4-methylphenoxy)methyl]pyridazin-4-yl]phenyl]cyclopropane-1-carboxylic acid?
2-[2-methoxy-5-[6-[(4-methylphenoxy)methyl]pyridazin-4-yl]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 390.44 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-5-[6-[(4-methylphenoxy)methyl]pyridazin-4-yl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 167637444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).