N-(1-adamantyl)-1-(5-fluoropentyl)indazole-3-carboxamide

C23H30FN3O — CID 71711119

IUPACN-(1-adamantyl)-1-(5-fluoropentyl)indazole-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1nn(CCCCCF)c2ccccc12
InChIInChI=1S/C23H30FN3O/c24-8-4-1-5-9-27-20-7-3-2-6-19(20)21(26-27)22(28)25-23-13-16-10-17(14-23)12-18(11-16)15-23/h2-3,6-7,16-18H,1,4-5,8-15H2,(H,25,28)
InChIKeyUCMFSGVIEPXYIV-UHFFFAOYSA-N
MW383.51 g/mol
LogP4.87
Rot. Bonds7

About N-(1-adamantyl)-1-(5-fluoropentyl)indazole-3-carboxamide

N-(1-adamantyl)-1-(5-fluoropentyl)indazole-3-carboxamide (PubChem CID 71711119) has the molecular formula C23H30FN3O and a molecular weight of 383.51 g/mol. Its IUPAC name is N-(1-adamantyl)-1-(5-fluoropentyl)indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-(5-fluoropentyl)indazole-3-carboxamide
PubChem CID71711119
Molecular FormulaC23H30FN3O
Molecular Weight383.51 g/mol
Exact Mass383.24
IUPAC NameN-(1-adamantyl)-1-(5-fluoropentyl)indazole-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1nn(CCCCCF)c2ccccc12
InChIInChI=1S/C23H30FN3O/c24-8-4-1-5-9-27-20-7-3-2-6-19(20)21(26-27)22(28)25-23-13-16-10-17(14-23)12-18(11-16)15-23/h2-3,6-7,16-18H,1,4-5,8-15H2,(H,25,28)
InChIKeyUCMFSGVIEPXYIV-UHFFFAOYSA-N
XLogP4.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-adamantyl)-1-(5-fluoropentyl)indazole-3-carboxamide 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 N-(1-adamantyl)-1-(5-fluoropentyl)indazole-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-(5-fluoropentyl)indazole-3-carboxamide (CID 71711119) is N-(1-adamantyl)-1-(5-fluoropentyl)indazole-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-(5-fluoropentyl)indazole-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-(5-fluoropentyl)indazole-3-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1nn(CCCCCF)c2ccccc12.
What is the InChIKey of N-(1-adamantyl)-1-(5-fluoropentyl)indazole-3-carboxamide?
The InChIKey is UCMFSGVIEPXYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O/c24-8-4-1-5-9-27-20-7-3-2-6-19(20)21(26-27)22(28)25-23-13-16-10-17(14-23)12-18(11-16)15-23/h2-3,6-7,16-18H,1,4-5,8-15H2,(H,25,28).
What are the key properties of N-(1-adamantyl)-1-(5-fluoropentyl)indazole-3-carboxamide?
N-(1-adamantyl)-1-(5-fluoropentyl)indazole-3-carboxamide has a molecular weight of 383.51 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-(5-fluoropentyl)indazole-3-carboxamide is sourced from PubChem (CID 71711119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).