3-[4-cyclopentyloxy-3-(3-methyl-2H-indazol-5-yl)phenyl]propanoic acid

C22H24N2O3 — CID 22558674

IUPAC3-[4-cyclopentyloxy-3-(3-methyl-2H-indazol-5-yl)phenyl]propanoic acid
SMILESCc1[nH]nc2ccc(-c3cc(CCC(=O)O)ccc3OC3CCCC3)cc12
InChIInChI=1S/C22H24N2O3/c1-14-18-13-16(8-9-20(18)24-23-14)19-12-15(7-11-22(25)26)6-10-21(19)27-17-4-2-3-5-17/h6,8-10,12-13,17H,2-5,7,11H2,1H3,(H,23,24)(H,25,26)
InChIKeyQBTGCYBLTLBOFX-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.88
Rot. Bonds6

About 3-[4-cyclopentyloxy-3-(3-methyl-2H-indazol-5-yl)phenyl]propanoic acid

3-[4-cyclopentyloxy-3-(3-methyl-2H-indazol-5-yl)phenyl]propanoic acid (PubChem CID 22558674) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[4-cyclopentyloxy-3-(3-methyl-2H-indazol-5-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-cyclopentyloxy-3-(3-methyl-2H-indazol-5-yl)phenyl]propanoic acid
PubChem CID22558674
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name3-[4-cyclopentyloxy-3-(3-methyl-2H-indazol-5-yl)phenyl]propanoic acid
SMILESCc1[nH]nc2ccc(-c3cc(CCC(=O)O)ccc3OC3CCCC3)cc12
InChIInChI=1S/C22H24N2O3/c1-14-18-13-16(8-9-20(18)24-23-14)19-12-15(7-11-22(25)26)6-10-21(19)27-17-4-2-3-5-17/h6,8-10,12-13,17H,2-5,7,11H2,1H3,(H,23,24)(H,25,26)
InChIKeyQBTGCYBLTLBOFX-UHFFFAOYSA-N
XLogP4.88
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-cycloheptyloxy-3-(1H-indol-5-yl)phenyl]propanoic acid
CID 22558657
3-[4-cycloheptyloxy-3-(1-methylindazol-5-yl)phenyl]propanoic acid
CID 22559270
3-[3-(1H-indol-5-yl)-4-(3-methylcyclopentyl)oxyphenyl]propanoic acid
CID 22559146
3-[4-(cyclopentylmethoxy)-3-(1H-indazol-5-yl)phenyl]propanoic acid
CID 22558968
5-[5-(2-carboxyethyl)-2-(cyclopentylmethoxy)phenyl]-1,2-dimethylindole-3-carboxylic acid
CID 142701721
3-(3-propan-2-yl-2H-indazol-5-yl)propanoic acid
CID 105491035
3-[4-[6-[(3-cyclopentyloxy-4-methoxyphenyl)methylamino]pyrimidin-4-yl]phenyl]propanoic acid
CID 66915658
3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid
CID 117473467
3-[3-chloro-4-(thietan-3-yloxy)phenyl]propanoic acid
CID 117434667
6-[5-(2-carboxyethyl)-2-(cyclohexylmethoxy)phenyl]naphthalene-2-carboxylic acid
CID 22558817
3-[3-amino-4-cyclohexyloxy-5-(1-methylindazol-5-yl)phenyl]propanoic acid
CID 22558881
3-[4-cyclopentyloxy-3-(1-methylindol-5-yl)phenyl]-2-methylpropanoic acid
CID 68828892

Frequently Asked Questions

What is the IUPAC name of 3-[4-cyclopentyloxy-3-(3-methyl-2H-indazol-5-yl)phenyl]propanoic acid?
The IUPAC name of 3-[4-cyclopentyloxy-3-(3-methyl-2H-indazol-5-yl)phenyl]propanoic acid (CID 22558674) is 3-[4-cyclopentyloxy-3-(3-methyl-2H-indazol-5-yl)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-cyclopentyloxy-3-(3-methyl-2H-indazol-5-yl)phenyl]propanoic acid?
The canonical SMILES for 3-[4-cyclopentyloxy-3-(3-methyl-2H-indazol-5-yl)phenyl]propanoic acid is Cc1[nH]nc2ccc(-c3cc(CCC(=O)O)ccc3OC3CCCC3)cc12.
What is the InChIKey of 3-[4-cyclopentyloxy-3-(3-methyl-2H-indazol-5-yl)phenyl]propanoic acid?
The InChIKey is QBTGCYBLTLBOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-14-18-13-16(8-9-20(18)24-23-14)19-12-15(7-11-22(25)26)6-10-21(19)27-17-4-2-3-5-17/h6,8-10,12-13,17H,2-5,7,11H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 3-[4-cyclopentyloxy-3-(3-methyl-2H-indazol-5-yl)phenyl]propanoic acid?
3-[4-cyclopentyloxy-3-(3-methyl-2H-indazol-5-yl)phenyl]propanoic acid has a molecular weight of 364.45 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-cyclopentyloxy-3-(3-methyl-2H-indazol-5-yl)phenyl]propanoic acid is sourced from PubChem (CID 22558674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).