3-[5-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyindazol-1-yl]propanoic acid

C23H25N3O5 — CID 134810123

IUPAC3-[5-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyindazol-1-yl]propanoic acid
SMILESO=C(O)CCn1ncc2cc(OC3CCN(C(=O)OCc4ccccc4)CC3)ccc21
InChIInChI=1S/C23H25N3O5/c27-22(28)10-13-26-21-7-6-20(14-18(21)15-24-26)31-19-8-11-25(12-9-19)23(29)30-16-17-4-2-1-3-5-17/h1-7,14-15,19H,8-13,16H2,(H,27,28)
InChIKeyPOXOFVBRHWPAHC-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.69
Rot. Bonds7

About 3-[5-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyindazol-1-yl]propanoic acid

3-[5-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyindazol-1-yl]propanoic acid (PubChem CID 134810123) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is 3-[5-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyindazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyindazol-1-yl]propanoic acid
PubChem CID134810123
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Name3-[5-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyindazol-1-yl]propanoic acid
SMILESO=C(O)CCn1ncc2cc(OC3CCN(C(=O)OCc4ccccc4)CC3)ccc21
InChIInChI=1S/C23H25N3O5/c27-22(28)10-13-26-21-7-6-20(14-18(21)15-24-26)31-19-8-11-25(12-9-19)23(29)30-16-17-4-2-1-3-5-17/h1-7,14-15,19H,8-13,16H2,(H,27,28)
InChIKeyPOXOFVBRHWPAHC-UHFFFAOYSA-N
XLogP3.69
TPSA93.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(+/-)-3-(4-(1-(4-(2H-indazol-2-yl)phenoxy)butyl)benzamido)propanoic acid
CID 68157252
1-{1-[3-(4-Hydroxy-piperidin-1-yl)-propyl]-1H-indazol-5-yl}-3-(4-phenoxy-phenyl)-urea
CID 44402567
2,2-difluoro-N-[(1R,2S)-1-[1-[1-(1-hydroxyethyl)-6-oxo-3-pyridinyl]indazol-5-yl]oxy-1-phenylpropan-2-yl]propanamide
CID 145975460
3-(4-(1-(4-(2H-indazol-2-yl)-3-methylphenoxy)butyl)benzamido)propanoic acid
CID 68156313
3-[[4-[(1S)-1-(4-indazol-2-yl-3,5-dimethylphenoxy)butyl]benzoyl]amino]propanoic acid
CID 68156482
3-[[4-[1-(4-Indazol-2-yl-3,5-dimethylphenoxy)butyl]benzoyl]amino]propanoic acid
CID 68156486
1H-Indazol-5-ol, 1-acetyl-, acetate (ester)
CID 215747
Methyl 2-[3-[3-[2-(diethylamino)ethoxy]phenyl]indazol-1-yl]acetate
CID 90090818
Methyl 2-[3-[3-[2-(dimethylamino)ethoxy]phenyl]indazol-1-yl]acetate
CID 118565697
3-[5-[[4-(2-Fluoro-6-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid
CID 134805022
3-[5-[[4-(5-Fluoro-2-methylphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid
CID 134805418
3-[5-[[4-(4-Fluoro-2-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid
CID 134806052

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyindazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyindazol-1-yl]propanoic acid (CID 134810123) is 3-[5-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyindazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyindazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyindazol-1-yl]propanoic acid is O=C(O)CCn1ncc2cc(OC3CCN(C(=O)OCc4ccccc4)CC3)ccc21.
What is the InChIKey of 3-[5-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyindazol-1-yl]propanoic acid?
The InChIKey is POXOFVBRHWPAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c27-22(28)10-13-26-21-7-6-20(14-18(21)15-24-26)31-19-8-11-25(12-9-19)23(29)30-16-17-4-2-1-3-5-17/h1-7,14-15,19H,8-13,16H2,(H,27,28).
What are the key properties of 3-[5-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyindazol-1-yl]propanoic acid?
3-[5-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyindazol-1-yl]propanoic acid has a molecular weight of 423.47 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyindazol-1-yl]propanoic acid is sourced from PubChem (CID 134810123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).