3-[4-[[1-(cyclopentylmethyl)indazol-6-yl]methoxy]phenyl]butanoic acid

C24H28N2O3 — CID 90142997

IUPAC3-[4-[[1-(cyclopentylmethyl)indazol-6-yl]methoxy]phenyl]butanoic acid
SMILESCC(CC(=O)O)c1ccc(OCc2ccc3cnn(CC4CCCC4)c3c2)cc1
InChIInChI=1S/C24H28N2O3/c1-17(12-24(27)28)20-8-10-22(11-9-20)29-16-19-6-7-21-14-25-26(23(21)13-19)15-18-4-2-3-5-18/h6-11,13-14,17-18H,2-5,12,15-16H2,1H3,(H,27,28)
InChIKeyUKXINWXLYVHZHC-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.38
Rot. Bonds8

About 3-[4-[[1-(cyclopentylmethyl)indazol-6-yl]methoxy]phenyl]butanoic acid

3-[4-[[1-(cyclopentylmethyl)indazol-6-yl]methoxy]phenyl]butanoic acid (PubChem CID 90142997) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-[4-[[1-(cyclopentylmethyl)indazol-6-yl]methoxy]phenyl]butanoic acid.

Molecular Properties

Compound Name3-[4-[[1-(cyclopentylmethyl)indazol-6-yl]methoxy]phenyl]butanoic acid
PubChem CID90142997
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name3-[4-[[1-(cyclopentylmethyl)indazol-6-yl]methoxy]phenyl]butanoic acid
SMILESCC(CC(=O)O)c1ccc(OCc2ccc3cnn(CC4CCCC4)c3c2)cc1
InChIInChI=1S/C24H28N2O3/c1-17(12-24(27)28)20-8-10-22(11-9-20)29-16-19-6-7-21-14-25-26(23(21)13-19)15-18-4-2-3-5-18/h6-11,13-14,17-18H,2-5,12,15-16H2,1H3,(H,27,28)
InChIKeyUKXINWXLYVHZHC-UHFFFAOYSA-N
XLogP5.38
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-[[1-(cyclopentylmethyl)indazol-6-yl]methoxy]phenyl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[[1-(cyclopropylmethyl)indazol-4-yl]methoxy]phenyl]butanoic acid
CID 90143002
(3S)-3-[4-[[1-(2,2-dimethylpropyl)indazol-6-yl]methoxy]phenyl]hex-4-ynoic acid
CID 90133187
(3S)-3-[4-[(1-cyclopentylindazol-5-yl)methoxy]phenyl]hex-4-enoic acid
CID 150288929
(3S)-3-[4-[[1-(3-methylbutyl)indazol-5-yl]methoxy]phenyl]hex-4-ynoic acid
CID 90133077
3-[1-(cyclopentylmethyl)indol-2-yl]butanoic acid
CID 117119019
3-[4-[[3-(4-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid
CID 71188659
3-[4-[[13-[(1-oxothian-4-yl)methoxy]-4-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl]methoxy]phenyl]butanoic acid
CID 144692397
3-[4-[[4-(3-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid
CID 71188660
3-[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]butanoic acid
CID 51350137
cyclohexanamine;3-[4-(3-phenylpropoxy)phenyl]butanoic acid
CID 45052898
3-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]butanoic acid
CID 70842823
3-[4-[[3-(4-cyanophenyl)phenyl]methoxy]phenyl]butanoic acid
CID 70842739

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[1-(cyclopentylmethyl)indazol-6-yl]methoxy]phenyl]butanoic acid?
The IUPAC name of 3-[4-[[1-(cyclopentylmethyl)indazol-6-yl]methoxy]phenyl]butanoic acid (CID 90142997) is 3-[4-[[1-(cyclopentylmethyl)indazol-6-yl]methoxy]phenyl]butanoic acid.
What is the SMILES notation for 3-[4-[[1-(cyclopentylmethyl)indazol-6-yl]methoxy]phenyl]butanoic acid?
The canonical SMILES for 3-[4-[[1-(cyclopentylmethyl)indazol-6-yl]methoxy]phenyl]butanoic acid is CC(CC(=O)O)c1ccc(OCc2ccc3cnn(CC4CCCC4)c3c2)cc1.
What is the InChIKey of 3-[4-[[1-(cyclopentylmethyl)indazol-6-yl]methoxy]phenyl]butanoic acid?
The InChIKey is UKXINWXLYVHZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-17(12-24(27)28)20-8-10-22(11-9-20)29-16-19-6-7-21-14-25-26(23(21)13-19)15-18-4-2-3-5-18/h6-11,13-14,17-18H,2-5,12,15-16H2,1H3,(H,27,28).
What are the key properties of 3-[4-[[1-(cyclopentylmethyl)indazol-6-yl]methoxy]phenyl]butanoic acid?
3-[4-[[1-(cyclopentylmethyl)indazol-6-yl]methoxy]phenyl]butanoic acid has a molecular weight of 392.50 g/mol, XLogP of 5.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[1-(cyclopentylmethyl)indazol-6-yl]methoxy]phenyl]butanoic acid is sourced from PubChem (CID 90142997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).