2-[4-chloro-1-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid

C17H15ClN2O3 — CID 155588748

IUPAC2-[4-chloro-1-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid
SMILESCOc1ccc(Cn2ncc3c(Cl)cc(CC(=O)O)cc32)cc1
InChIInChI=1S/C17H15ClN2O3/c1-23-13-4-2-11(3-5-13)10-20-16-7-12(8-17(21)22)6-15(18)14(16)9-19-20/h2-7,9H,8,10H2,1H3,(H,21,22)
InChIKeyWRFUDOOKEBZZMV-UHFFFAOYSA-N
MW330.77 g/mol
LogP3.37
Rot. Bonds5

About 2-[4-chloro-1-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid

2-[4-chloro-1-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid (PubChem CID 155588748) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 2-[4-chloro-1-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-1-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid
PubChem CID155588748
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name2-[4-chloro-1-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid
SMILESCOc1ccc(Cn2ncc3c(Cl)cc(CC(=O)O)cc32)cc1
InChIInChI=1S/C17H15ClN2O3/c1-23-13-4-2-11(3-5-13)10-20-16-7-12(8-17(21)22)6-15(18)14(16)9-19-20/h2-7,9H,8,10H2,1H3,(H,21,22)
InChIKeyWRFUDOOKEBZZMV-UHFFFAOYSA-N
XLogP3.37
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-1-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid?
The IUPAC name of 2-[4-chloro-1-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid (CID 155588748) is 2-[4-chloro-1-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid.
What is the SMILES notation for 2-[4-chloro-1-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid?
The canonical SMILES for 2-[4-chloro-1-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid is COc1ccc(Cn2ncc3c(Cl)cc(CC(=O)O)cc32)cc1.
What is the InChIKey of 2-[4-chloro-1-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid?
The InChIKey is WRFUDOOKEBZZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-23-13-4-2-11(3-5-13)10-20-16-7-12(8-17(21)22)6-15(18)14(16)9-19-20/h2-7,9H,8,10H2,1H3,(H,21,22).
What are the key properties of 2-[4-chloro-1-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid?
2-[4-chloro-1-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid has a molecular weight of 330.77 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-1-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid is sourced from PubChem (CID 155588748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).