3-[4-(cyclopentylmethoxy)-3-(1H-indazol-5-yl)phenyl]propanoic acid

C22H24N2O3 — CID 22558968

IUPAC3-[4-(cyclopentylmethoxy)-3-(1H-indazol-5-yl)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCC2CCCC2)c(-c2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C22H24N2O3/c25-22(26)10-6-15-5-9-21(27-14-16-3-1-2-4-16)19(11-15)17-7-8-20-18(12-17)13-23-24-20/h5,7-9,11-13,16H,1-4,6,10,14H2,(H,23,24)(H,25,26)
InChIKeyPYMPRIZDLDBIRD-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.82
Rot. Bonds7

About 3-[4-(cyclopentylmethoxy)-3-(1H-indazol-5-yl)phenyl]propanoic acid

3-[4-(cyclopentylmethoxy)-3-(1H-indazol-5-yl)phenyl]propanoic acid (PubChem CID 22558968) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[4-(cyclopentylmethoxy)-3-(1H-indazol-5-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(cyclopentylmethoxy)-3-(1H-indazol-5-yl)phenyl]propanoic acid
PubChem CID22558968
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name3-[4-(cyclopentylmethoxy)-3-(1H-indazol-5-yl)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCC2CCCC2)c(-c2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C22H24N2O3/c25-22(26)10-6-15-5-9-21(27-14-16-3-1-2-4-16)19(11-15)17-7-8-20-18(12-17)13-23-24-20/h5,7-9,11-13,16H,1-4,6,10,14H2,(H,23,24)(H,25,26)
InChIKeyPYMPRIZDLDBIRD-UHFFFAOYSA-N
XLogP4.82
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopentylmethoxy)-3-(1H-indazol-5-yl)phenyl]propanoic acid?
The IUPAC name of 3-[4-(cyclopentylmethoxy)-3-(1H-indazol-5-yl)phenyl]propanoic acid (CID 22558968) is 3-[4-(cyclopentylmethoxy)-3-(1H-indazol-5-yl)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(cyclopentylmethoxy)-3-(1H-indazol-5-yl)phenyl]propanoic acid?
The canonical SMILES for 3-[4-(cyclopentylmethoxy)-3-(1H-indazol-5-yl)phenyl]propanoic acid is O=C(O)CCc1ccc(OCC2CCCC2)c(-c2ccc3[nH]ncc3c2)c1.
What is the InChIKey of 3-[4-(cyclopentylmethoxy)-3-(1H-indazol-5-yl)phenyl]propanoic acid?
The InChIKey is PYMPRIZDLDBIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c25-22(26)10-6-15-5-9-21(27-14-16-3-1-2-4-16)19(11-15)17-7-8-20-18(12-17)13-23-24-20/h5,7-9,11-13,16H,1-4,6,10,14H2,(H,23,24)(H,25,26).
What are the key properties of 3-[4-(cyclopentylmethoxy)-3-(1H-indazol-5-yl)phenyl]propanoic acid?
3-[4-(cyclopentylmethoxy)-3-(1H-indazol-5-yl)phenyl]propanoic acid has a molecular weight of 364.45 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopentylmethoxy)-3-(1H-indazol-5-yl)phenyl]propanoic acid is sourced from PubChem (CID 22558968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).