3-[5-[(1-cyclopentyloxycarbonylpiperidin-4-yl)methoxy]indazol-1-yl]propanoic acid

C22H29N3O5 — CID 134808789

IUPAC3-[5-[(1-cyclopentyloxycarbonylpiperidin-4-yl)methoxy]indazol-1-yl]propanoic acid
SMILESO=C(O)CCn1ncc2cc(OCC3CCN(C(=O)OC4CCCC4)CC3)ccc21
InChIInChI=1S/C22H29N3O5/c26-21(27)9-12-25-20-6-5-19(13-17(20)14-23-25)29-15-16-7-10-24(11-8-16)22(28)30-18-3-1-2-4-18/h5-6,13-14,16,18H,1-4,7-12,15H2,(H,26,27)
InChIKeyMCRUYSQOVPIJPW-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.68
Rot. Bonds7

About 3-[5-[(1-cyclopentyloxycarbonylpiperidin-4-yl)methoxy]indazol-1-yl]propanoic acid

3-[5-[(1-cyclopentyloxycarbonylpiperidin-4-yl)methoxy]indazol-1-yl]propanoic acid (PubChem CID 134808789) has the molecular formula C22H29N3O5 and a molecular weight of 415.49 g/mol. Its IUPAC name is 3-[5-[(1-cyclopentyloxycarbonylpiperidin-4-yl)methoxy]indazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[(1-cyclopentyloxycarbonylpiperidin-4-yl)methoxy]indazol-1-yl]propanoic acid
PubChem CID134808789
Molecular FormulaC22H29N3O5
Molecular Weight415.49 g/mol
Exact Mass415.21
IUPAC Name3-[5-[(1-cyclopentyloxycarbonylpiperidin-4-yl)methoxy]indazol-1-yl]propanoic acid
SMILESO=C(O)CCn1ncc2cc(OCC3CCN(C(=O)OC4CCCC4)CC3)ccc21
InChIInChI=1S/C22H29N3O5/c26-21(27)9-12-25-20-6-5-19(13-17(20)14-23-25)29-15-16-7-10-24(11-8-16)22(28)30-18-3-1-2-4-18/h5-6,13-14,16,18H,1-4,7-12,15H2,(H,26,27)
InChIKeyMCRUYSQOVPIJPW-UHFFFAOYSA-N
XLogP3.68
TPSA93.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1-cyclopentyloxycarbonylpiperidin-4-yl)methoxy]indazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-[(1-cyclopentyloxycarbonylpiperidin-4-yl)methoxy]indazol-1-yl]propanoic acid (CID 134808789) is 3-[5-[(1-cyclopentyloxycarbonylpiperidin-4-yl)methoxy]indazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-[(1-cyclopentyloxycarbonylpiperidin-4-yl)methoxy]indazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-[(1-cyclopentyloxycarbonylpiperidin-4-yl)methoxy]indazol-1-yl]propanoic acid is O=C(O)CCn1ncc2cc(OCC3CCN(C(=O)OC4CCCC4)CC3)ccc21.
What is the InChIKey of 3-[5-[(1-cyclopentyloxycarbonylpiperidin-4-yl)methoxy]indazol-1-yl]propanoic acid?
The InChIKey is MCRUYSQOVPIJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5/c26-21(27)9-12-25-20-6-5-19(13-17(20)14-23-25)29-15-16-7-10-24(11-8-16)22(28)30-18-3-1-2-4-18/h5-6,13-14,16,18H,1-4,7-12,15H2,(H,26,27).
What are the key properties of 3-[5-[(1-cyclopentyloxycarbonylpiperidin-4-yl)methoxy]indazol-1-yl]propanoic acid?
3-[5-[(1-cyclopentyloxycarbonylpiperidin-4-yl)methoxy]indazol-1-yl]propanoic acid has a molecular weight of 415.49 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1-cyclopentyloxycarbonylpiperidin-4-yl)methoxy]indazol-1-yl]propanoic acid is sourced from PubChem (CID 134808789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).