2-[2-[[1-cyclopentyl-5-(3-formamidophenyl)indazol-3-yl]methoxy]phenyl]acetic acid

C28H27N3O4 — CID 175498343

IUPAC2-[2-[[1-cyclopentyl-5-(3-formamidophenyl)indazol-3-yl]methoxy]phenyl]acetic acid
SMILESO=CNc1cccc(-c2ccc3c(c2)c(COc2ccccc2CC(=O)O)nn3C2CCCC2)c1
InChIInChI=1S/C28H27N3O4/c32-18-29-22-8-5-7-19(14-22)20-12-13-26-24(15-20)25(30-31(26)23-9-2-3-10-23)17-35-27-11-4-1-6-21(27)16-28(33)34/h1,4-8,11-15,18,23H,2-3,9-10,16-17H2,(H,29,32)(H,33,34)
InChIKeyCWMYOYBJFWBZAG-UHFFFAOYSA-N
MW469.54 g/mol
LogP5.59
Rot. Bonds9

About 2-[2-[[1-cyclopentyl-5-(3-formamidophenyl)indazol-3-yl]methoxy]phenyl]acetic acid

2-[2-[[1-cyclopentyl-5-(3-formamidophenyl)indazol-3-yl]methoxy]phenyl]acetic acid (PubChem CID 175498343) has the molecular formula C28H27N3O4 and a molecular weight of 469.54 g/mol. Its IUPAC name is 2-[2-[[1-cyclopentyl-5-(3-formamidophenyl)indazol-3-yl]methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[1-cyclopentyl-5-(3-formamidophenyl)indazol-3-yl]methoxy]phenyl]acetic acid
PubChem CID175498343
Molecular FormulaC28H27N3O4
Molecular Weight469.54 g/mol
Exact Mass469.20
IUPAC Name2-[2-[[1-cyclopentyl-5-(3-formamidophenyl)indazol-3-yl]methoxy]phenyl]acetic acid
SMILESO=CNc1cccc(-c2ccc3c(c2)c(COc2ccccc2CC(=O)O)nn3C2CCCC2)c1
InChIInChI=1S/C28H27N3O4/c32-18-29-22-8-5-7-19(14-22)20-12-13-26-24(15-20)25(30-31(26)23-9-2-3-10-23)17-35-27-11-4-1-6-21(27)16-28(33)34/h1,4-8,11-15,18,23H,2-3,9-10,16-17H2,(H,29,32)(H,33,34)
InChIKeyCWMYOYBJFWBZAG-UHFFFAOYSA-N
XLogP5.59
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.54
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-cyclopentyl-5-(3-formamidophenyl)indazol-3-yl]methoxy]phenyl]acetic acid?
The IUPAC name of 2-[2-[[1-cyclopentyl-5-(3-formamidophenyl)indazol-3-yl]methoxy]phenyl]acetic acid (CID 175498343) is 2-[2-[[1-cyclopentyl-5-(3-formamidophenyl)indazol-3-yl]methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[1-cyclopentyl-5-(3-formamidophenyl)indazol-3-yl]methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[1-cyclopentyl-5-(3-formamidophenyl)indazol-3-yl]methoxy]phenyl]acetic acid is O=CNc1cccc(-c2ccc3c(c2)c(COc2ccccc2CC(=O)O)nn3C2CCCC2)c1.
What is the InChIKey of 2-[2-[[1-cyclopentyl-5-(3-formamidophenyl)indazol-3-yl]methoxy]phenyl]acetic acid?
The InChIKey is CWMYOYBJFWBZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O4/c32-18-29-22-8-5-7-19(14-22)20-12-13-26-24(15-20)25(30-31(26)23-9-2-3-10-23)17-35-27-11-4-1-6-21(27)16-28(33)34/h1,4-8,11-15,18,23H,2-3,9-10,16-17H2,(H,29,32)(H,33,34).
What are the key properties of 2-[2-[[1-cyclopentyl-5-(3-formamidophenyl)indazol-3-yl]methoxy]phenyl]acetic acid?
2-[2-[[1-cyclopentyl-5-(3-formamidophenyl)indazol-3-yl]methoxy]phenyl]acetic acid has a molecular weight of 469.54 g/mol, XLogP of 5.59, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-cyclopentyl-5-(3-formamidophenyl)indazol-3-yl]methoxy]phenyl]acetic acid is sourced from PubChem (CID 175498343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).