5-[3-(1-adamantylcarbamoyl)indazol-1-yl]pentanoic acid

C23H29N3O3 — CID 124518899

IUPAC5-[3-(1-adamantylcarbamoyl)indazol-1-yl]pentanoic acid
SMILESO=C(O)CCCCn1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc21
InChIInChI=1S/C23H29N3O3/c27-20(28)7-3-4-8-26-19-6-2-1-5-18(19)21(25-26)22(29)24-23-12-15-9-16(13-23)11-17(10-15)14-23/h1-2,5-6,15-17H,3-4,7-14H2,(H,24,29)(H,27,28)
InChIKeyCMCIJYXHEYJYQU-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.99
Rot. Bonds7

About 5-[3-(1-adamantylcarbamoyl)indazol-1-yl]pentanoic acid

5-[3-(1-adamantylcarbamoyl)indazol-1-yl]pentanoic acid (PubChem CID 124518899) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 5-[3-(1-adamantylcarbamoyl)indazol-1-yl]pentanoic acid.

Molecular Properties

Compound Name5-[3-(1-adamantylcarbamoyl)indazol-1-yl]pentanoic acid
PubChem CID124518899
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name5-[3-(1-adamantylcarbamoyl)indazol-1-yl]pentanoic acid
SMILESO=C(O)CCCCn1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc21
InChIInChI=1S/C23H29N3O3/c27-20(28)7-3-4-8-26-19-6-2-1-5-18(19)21(25-26)22(29)24-23-12-15-9-16(13-23)11-17(10-15)14-23/h1-2,5-6,15-17H,3-4,7-14H2,(H,24,29)(H,27,28)
InChIKeyCMCIJYXHEYJYQU-UHFFFAOYSA-N
XLogP3.99
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[3-(1-adamantylcarbamoyl)indazol-1-yl]pentanoic 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 5-[3-(1-adamantylcarbamoyl)indazol-1-yl]pentanoic acid?
The IUPAC name of 5-[3-(1-adamantylcarbamoyl)indazol-1-yl]pentanoic acid (CID 124518899) is 5-[3-(1-adamantylcarbamoyl)indazol-1-yl]pentanoic acid.
What is the SMILES notation for 5-[3-(1-adamantylcarbamoyl)indazol-1-yl]pentanoic acid?
The canonical SMILES for 5-[3-(1-adamantylcarbamoyl)indazol-1-yl]pentanoic acid is O=C(O)CCCCn1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc21.
What is the InChIKey of 5-[3-(1-adamantylcarbamoyl)indazol-1-yl]pentanoic acid?
The InChIKey is CMCIJYXHEYJYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c27-20(28)7-3-4-8-26-19-6-2-1-5-18(19)21(25-26)22(29)24-23-12-15-9-16(13-23)11-17(10-15)14-23/h1-2,5-6,15-17H,3-4,7-14H2,(H,24,29)(H,27,28).
What are the key properties of 5-[3-(1-adamantylcarbamoyl)indazol-1-yl]pentanoic acid?
5-[3-(1-adamantylcarbamoyl)indazol-1-yl]pentanoic acid has a molecular weight of 395.50 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-adamantylcarbamoyl)indazol-1-yl]pentanoic acid is sourced from PubChem (CID 124518899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).