3-[5-[[1-(2-cyclopropylacetyl)piperidin-4-yl]methoxy]indazol-1-yl]propanoic acid

C21H27N3O4 — CID 134811088

IUPAC3-[5-[[1-(2-cyclopropylacetyl)piperidin-4-yl]methoxy]indazol-1-yl]propanoic acid
SMILESO=C(O)CCn1ncc2cc(OCC3CCN(C(=O)CC4CC4)CC3)ccc21
InChIInChI=1S/C21H27N3O4/c25-20(11-15-1-2-15)23-8-5-16(6-9-23)14-28-18-3-4-19-17(12-18)13-22-24(19)10-7-21(26)27/h3-4,12-13,15-16H,1-2,5-11,14H2,(H,26,27)
InChIKeyITNIIWZNCOBGQN-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.93
Rot. Bonds8

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

3-[5-[[1-(2-cyclopropylacetyl)piperidin-4-yl]methoxy]indazol-1-yl]propanoic acid (PubChem CID 134811088) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 3-[5-[[1-(2-cyclopropylacetyl)piperidin-4-yl]methoxy]indazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[[1-(2-cyclopropylacetyl)piperidin-4-yl]methoxy]indazol-1-yl]propanoic acid
PubChem CID134811088
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name3-[5-[[1-(2-cyclopropylacetyl)piperidin-4-yl]methoxy]indazol-1-yl]propanoic acid
SMILESO=C(O)CCn1ncc2cc(OCC3CCN(C(=O)CC4CC4)CC3)ccc21
InChIInChI=1S/C21H27N3O4/c25-20(11-15-1-2-15)23-8-5-16(6-9-23)14-28-18-3-4-19-17(12-18)13-22-24(19)10-7-21(26)27/h3-4,12-13,15-16H,1-2,5-11,14H2,(H,26,27)
InChIKeyITNIIWZNCOBGQN-UHFFFAOYSA-N
XLogP2.93
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-[[1-(2-cyclopropylacetyl)piperidin-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-(2-cyclopropylacetyl)piperidin-4-yl]methoxy]indazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-[[1-(2-cyclopropylacetyl)piperidin-4-yl]methoxy]indazol-1-yl]propanoic acid (CID 134811088) is 3-[5-[[1-(2-cyclopropylacetyl)piperidin-4-yl]methoxy]indazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-[[1-(2-cyclopropylacetyl)piperidin-4-yl]methoxy]indazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-[[1-(2-cyclopropylacetyl)piperidin-4-yl]methoxy]indazol-1-yl]propanoic acid is O=C(O)CCn1ncc2cc(OCC3CCN(C(=O)CC4CC4)CC3)ccc21.
What is the InChIKey of 3-[5-[[1-(2-cyclopropylacetyl)piperidin-4-yl]methoxy]indazol-1-yl]propanoic acid?
The InChIKey is ITNIIWZNCOBGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c25-20(11-15-1-2-15)23-8-5-16(6-9-23)14-28-18-3-4-19-17(12-18)13-22-24(19)10-7-21(26)27/h3-4,12-13,15-16H,1-2,5-11,14H2,(H,26,27).
What are the key properties of 3-[5-[[1-(2-cyclopropylacetyl)piperidin-4-yl]methoxy]indazol-1-yl]propanoic acid?
3-[5-[[1-(2-cyclopropylacetyl)piperidin-4-yl]methoxy]indazol-1-yl]propanoic acid has a molecular weight of 385.46 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[1-(2-cyclopropylacetyl)piperidin-4-yl]methoxy]indazol-1-yl]propanoic acid is sourced from PubChem (CID 134811088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).