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

C22H24N2O3 — CID 90143002

IUPAC3-[4-[[1-(cyclopropylmethyl)indazol-4-yl]methoxy]phenyl]butanoic acid
SMILESCC(CC(=O)O)c1ccc(OCc2cccc3c2cnn3CC2CC2)cc1
InChIInChI=1S/C22H24N2O3/c1-15(11-22(25)26)17-7-9-19(10-8-17)27-14-18-3-2-4-21-20(18)12-23-24(21)13-16-5-6-16/h2-4,7-10,12,15-16H,5-6,11,13-14H2,1H3,(H,25,26)
InChIKeyONMWFJAUTIGGAF-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.60
Rot. Bonds8

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

3-[4-[[1-(cyclopropylmethyl)indazol-4-yl]methoxy]phenyl]butanoic acid (PubChem CID 90143002) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[4-[[1-(cyclopropylmethyl)indazol-4-yl]methoxy]phenyl]butanoic acid.

Molecular Properties

Compound Name3-[4-[[1-(cyclopropylmethyl)indazol-4-yl]methoxy]phenyl]butanoic acid
PubChem CID90143002
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name3-[4-[[1-(cyclopropylmethyl)indazol-4-yl]methoxy]phenyl]butanoic acid
SMILESCC(CC(=O)O)c1ccc(OCc2cccc3c2cnn3CC2CC2)cc1
InChIInChI=1S/C22H24N2O3/c1-15(11-22(25)26)17-7-9-19(10-8-17)27-14-18-3-2-4-21-20(18)12-23-24(21)13-16-5-6-16/h2-4,7-10,12,15-16H,5-6,11,13-14H2,1H3,(H,25,26)
InChIKeyONMWFJAUTIGGAF-UHFFFAOYSA-N
XLogP4.60
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[[1-(cyclopentylmethyl)indazol-6-yl]methoxy]phenyl]butanoic acid
CID 90142997
(3S)-3-[4-[(1-propan-2-ylindazol-4-yl)methoxy]phenyl]hex-4-ynoic acid
CID 90132954
(3S)-3-[4-[(1-benzylindazol-4-yl)methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoic acid
CID 75201965
3-[4-[(3-fluoro-1-propan-2-ylindazol-4-yl)methoxy]phenyl]butanoic acid
CID 90142952
3-[4-[(1-butyl-3-fluoroindazol-4-yl)methoxy]phenyl]butanoic acid
CID 90142913
3-[4-[[3-(4-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid
CID 71188659
3-[4-[(5-methyl-2-phenyltriazol-4-yl)methoxy]phenyl]butanoic acid
CID 70842789
3-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]butanoic acid
CID 70842823
3-[4-(4-phenoxyphenoxy)phenyl]butanoic acid
CID 70842776
3-hydroxy-3-[4-[(2-methylphenyl)methoxy]phenyl]propanoic acid
CID 123243289
3-[4-[[4-(3-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid
CID 71188660
cyclohexanamine;3-[4-(3-phenylpropoxy)phenyl]butanoic acid
CID 45052898

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[1-(cyclopropylmethyl)indazol-4-yl]methoxy]phenyl]butanoic acid?
The IUPAC name of 3-[4-[[1-(cyclopropylmethyl)indazol-4-yl]methoxy]phenyl]butanoic acid (CID 90143002) is 3-[4-[[1-(cyclopropylmethyl)indazol-4-yl]methoxy]phenyl]butanoic acid.
What is the SMILES notation for 3-[4-[[1-(cyclopropylmethyl)indazol-4-yl]methoxy]phenyl]butanoic acid?
The canonical SMILES for 3-[4-[[1-(cyclopropylmethyl)indazol-4-yl]methoxy]phenyl]butanoic acid is CC(CC(=O)O)c1ccc(OCc2cccc3c2cnn3CC2CC2)cc1.
What is the InChIKey of 3-[4-[[1-(cyclopropylmethyl)indazol-4-yl]methoxy]phenyl]butanoic acid?
The InChIKey is ONMWFJAUTIGGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-15(11-22(25)26)17-7-9-19(10-8-17)27-14-18-3-2-4-21-20(18)12-23-24(21)13-16-5-6-16/h2-4,7-10,12,15-16H,5-6,11,13-14H2,1H3,(H,25,26).
What are the key properties of 3-[4-[[1-(cyclopropylmethyl)indazol-4-yl]methoxy]phenyl]butanoic acid?
3-[4-[[1-(cyclopropylmethyl)indazol-4-yl]methoxy]phenyl]butanoic acid has a molecular weight of 364.45 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[1-(cyclopropylmethyl)indazol-4-yl]methoxy]phenyl]butanoic acid is sourced from PubChem (CID 90143002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).