3-[5-[[1-(2-chlorophenoxy)carbonylpiperidin-4-yl]methoxy]indazol-1-yl]propanoic acid

C23H24ClN3O5 — CID 134810448

IUPAC3-[5-[[1-(2-chlorophenoxy)carbonylpiperidin-4-yl]methoxy]indazol-1-yl]propanoic acid
SMILESO=C(O)CCn1ncc2cc(OCC3CCN(C(=O)Oc4ccccc4Cl)CC3)ccc21
InChIInChI=1S/C23H24ClN3O5/c24-19-3-1-2-4-21(19)32-23(30)26-10-7-16(8-11-26)15-31-18-5-6-20-17(13-18)14-25-27(20)12-9-22(28)29/h1-6,13-14,16H,7-12,15H2,(H,28,29)
InChIKeyOPDIVEGJICUVRU-UHFFFAOYSA-N
MW457.91 g/mol
LogP4.45
Rot. Bonds7

About 3-[5-[[1-(2-chlorophenoxy)carbonylpiperidin-4-yl]methoxy]indazol-1-yl]propanoic acid

3-[5-[[1-(2-chlorophenoxy)carbonylpiperidin-4-yl]methoxy]indazol-1-yl]propanoic acid (PubChem CID 134810448) has the molecular formula C23H24ClN3O5 and a molecular weight of 457.91 g/mol. Its IUPAC name is 3-[5-[[1-(2-chlorophenoxy)carbonylpiperidin-4-yl]methoxy]indazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[[1-(2-chlorophenoxy)carbonylpiperidin-4-yl]methoxy]indazol-1-yl]propanoic acid
PubChem CID134810448
Molecular FormulaC23H24ClN3O5
Molecular Weight457.91 g/mol
Exact Mass457.14
IUPAC Name3-[5-[[1-(2-chlorophenoxy)carbonylpiperidin-4-yl]methoxy]indazol-1-yl]propanoic acid
SMILESO=C(O)CCn1ncc2cc(OCC3CCN(C(=O)Oc4ccccc4Cl)CC3)ccc21
InChIInChI=1S/C23H24ClN3O5/c24-19-3-1-2-4-21(19)32-23(30)26-10-7-16(8-11-26)15-31-18-5-6-20-17(13-18)14-25-27(20)12-9-22(28)29/h1-6,13-14,16H,7-12,15H2,(H,28,29)
InChIKeyOPDIVEGJICUVRU-UHFFFAOYSA-N
XLogP4.45
TPSA93.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.91
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-[[1-(2-chlorophenoxy)carbonylpiperidin-4-yl]methoxy]indazol-1-yl]propanoic acid with MolForge

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Related Compounds

2-amino-2-(hydroxymethyl)propane-1,3-diol;3-[6-chloro-5-[(1R)-1-pyridin-2-ylethoxy]indazol-1-yl]propanoic acid
CID 137640576
3-[5-[[1-(4,4,4-Trifluorobutanoyl)piperidin-4-yl]methoxy]indazol-1-yl]propanoic acid
CID 134811234
3-[5-[[1-(2-Chloro-5-fluorobenzoyl)piperidin-4-yl]methoxy]indazol-1-yl]propanoic acid
CID 134811379
3-[5-[1-(2-Chloro-5-fluorobenzoyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid
CID 134811162
3-[5-[[4-(4-Chloro-2-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid
CID 134807032
3-[5-[(1-Cyclopentyloxycarbonylpiperidin-4-yl)methoxy]indazol-1-yl]propanoic acid
CID 134808789
3-[5-[1-(2-Phenoxyacetyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid
CID 134810447
3-[5-[(1-Propan-2-yloxycarbonylpiperidin-4-yl)methoxy]indazol-1-yl]propanoic acid
CID 134810558
3-[5-[[1-(2-Cyclopropylacetyl)piperidin-4-yl]methoxy]indazol-1-yl]propanoic acid
CID 134811088
3-[5-[1-(Cyclopentanecarbonyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid
CID 134811190
3-[5-[1-(4-Methylphenoxy)carbonylpiperidin-4-yl]oxyindazol-1-yl]propanoic acid
CID 134811198
3-[5-[[1-(2-Phenoxyacetyl)piperidin-4-yl]methoxy]indazol-1-yl]propanoic acid
CID 134811200

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[1-(2-chlorophenoxy)carbonylpiperidin-4-yl]methoxy]indazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-[[1-(2-chlorophenoxy)carbonylpiperidin-4-yl]methoxy]indazol-1-yl]propanoic acid (CID 134810448) is 3-[5-[[1-(2-chlorophenoxy)carbonylpiperidin-4-yl]methoxy]indazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-[[1-(2-chlorophenoxy)carbonylpiperidin-4-yl]methoxy]indazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-[[1-(2-chlorophenoxy)carbonylpiperidin-4-yl]methoxy]indazol-1-yl]propanoic acid is O=C(O)CCn1ncc2cc(OCC3CCN(C(=O)Oc4ccccc4Cl)CC3)ccc21.
What is the InChIKey of 3-[5-[[1-(2-chlorophenoxy)carbonylpiperidin-4-yl]methoxy]indazol-1-yl]propanoic acid?
The InChIKey is OPDIVEGJICUVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O5/c24-19-3-1-2-4-21(19)32-23(30)26-10-7-16(8-11-26)15-31-18-5-6-20-17(13-18)14-25-27(20)12-9-22(28)29/h1-6,13-14,16H,7-12,15H2,(H,28,29).
What are the key properties of 3-[5-[[1-(2-chlorophenoxy)carbonylpiperidin-4-yl]methoxy]indazol-1-yl]propanoic acid?
3-[5-[[1-(2-chlorophenoxy)carbonylpiperidin-4-yl]methoxy]indazol-1-yl]propanoic acid has a molecular weight of 457.91 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[1-(2-chlorophenoxy)carbonylpiperidin-4-yl]methoxy]indazol-1-yl]propanoic acid is sourced from PubChem (CID 134810448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).