6-fluoro-3-[1-[1-[2-(1-methyl-1-azaspiro[2.2]pentan-5-yl)ethyl]pyrazol-4-yl]triazol-4-yl]-1H-indazole

C19H19FN8 — CID 88576092

IUPAC6-fluoro-3-[1-[1-[2-(1-methyl-1-azaspiro[2.2]pentan-5-yl)ethyl]pyrazol-4-yl]triazol-4-yl]-1H-indazole
SMILESCN1CC12CC2CCn1cc(-n2cc(-c3n[nH]c4cc(F)ccc34)nn2)cn1
InChIInChI=1S/C19H19FN8/c1-26-11-19(26)7-12(19)4-5-27-9-14(8-21-27)28-10-17(23-25-28)18-15-3-2-13(20)6-16(15)22-24-18/h2-3,6,8-10,12H,4-5,7,11H2,1H3,(H,22,24)
InChIKeyXGXYMPBWIITSFR-UHFFFAOYSA-N
MW378.42 g/mol
LogP2.24
Rot. Bonds5

About 6-fluoro-3-[1-[1-[2-(1-methyl-1-azaspiro[2.2]pentan-5-yl)ethyl]pyrazol-4-yl]triazol-4-yl]-1H-indazole

6-fluoro-3-[1-[1-[2-(1-methyl-1-azaspiro[2.2]pentan-5-yl)ethyl]pyrazol-4-yl]triazol-4-yl]-1H-indazole (PubChem CID 88576092) has the molecular formula C19H19FN8 and a molecular weight of 378.42 g/mol. Its IUPAC name is 6-fluoro-3-[1-[1-[2-(1-methyl-1-azaspiro[2.2]pentan-5-yl)ethyl]pyrazol-4-yl]triazol-4-yl]-1H-indazole.

Molecular Properties

Compound Name6-fluoro-3-[1-[1-[2-(1-methyl-1-azaspiro[2.2]pentan-5-yl)ethyl]pyrazol-4-yl]triazol-4-yl]-1H-indazole
PubChem CID88576092
Molecular FormulaC19H19FN8
Molecular Weight378.42 g/mol
Exact Mass378.17
IUPAC Name6-fluoro-3-[1-[1-[2-(1-methyl-1-azaspiro[2.2]pentan-5-yl)ethyl]pyrazol-4-yl]triazol-4-yl]-1H-indazole
SMILESCN1CC12CC2CCn1cc(-n2cc(-c3n[nH]c4cc(F)ccc34)nn2)cn1
InChIInChI=1S/C19H19FN8/c1-26-11-19(26)7-12(19)4-5-27-9-14(8-21-27)28-10-17(23-25-28)18-15-3-2-13(20)6-16(15)22-24-18/h2-3,6,8-10,12H,4-5,7,11H2,1H3,(H,22,24)
InChIKeyXGXYMPBWIITSFR-UHFFFAOYSA-N
XLogP2.24
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 6-fluoro-3-[1-[1-[2-(1-methyl-1-azaspiro[2.2]pentan-5-yl)ethyl]pyrazol-4-yl]triazol-4-yl]-1H-indazole 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 6-fluoro-3-[1-[1-[2-(1-methyl-1-azaspiro[2.2]pentan-5-yl)ethyl]pyrazol-4-yl]triazol-4-yl]-1H-indazole?
The IUPAC name of 6-fluoro-3-[1-[1-[2-(1-methyl-1-azaspiro[2.2]pentan-5-yl)ethyl]pyrazol-4-yl]triazol-4-yl]-1H-indazole (CID 88576092) is 6-fluoro-3-[1-[1-[2-(1-methyl-1-azaspiro[2.2]pentan-5-yl)ethyl]pyrazol-4-yl]triazol-4-yl]-1H-indazole.
What is the SMILES notation for 6-fluoro-3-[1-[1-[2-(1-methyl-1-azaspiro[2.2]pentan-5-yl)ethyl]pyrazol-4-yl]triazol-4-yl]-1H-indazole?
The canonical SMILES for 6-fluoro-3-[1-[1-[2-(1-methyl-1-azaspiro[2.2]pentan-5-yl)ethyl]pyrazol-4-yl]triazol-4-yl]-1H-indazole is CN1CC12CC2CCn1cc(-n2cc(-c3n[nH]c4cc(F)ccc34)nn2)cn1.
What is the InChIKey of 6-fluoro-3-[1-[1-[2-(1-methyl-1-azaspiro[2.2]pentan-5-yl)ethyl]pyrazol-4-yl]triazol-4-yl]-1H-indazole?
The InChIKey is XGXYMPBWIITSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN8/c1-26-11-19(26)7-12(19)4-5-27-9-14(8-21-27)28-10-17(23-25-28)18-15-3-2-13(20)6-16(15)22-24-18/h2-3,6,8-10,12H,4-5,7,11H2,1H3,(H,22,24).
What are the key properties of 6-fluoro-3-[1-[1-[2-(1-methyl-1-azaspiro[2.2]pentan-5-yl)ethyl]pyrazol-4-yl]triazol-4-yl]-1H-indazole?
6-fluoro-3-[1-[1-[2-(1-methyl-1-azaspiro[2.2]pentan-5-yl)ethyl]pyrazol-4-yl]triazol-4-yl]-1H-indazole has a molecular weight of 378.42 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[1-[1-[2-(1-methyl-1-azaspiro[2.2]pentan-5-yl)ethyl]pyrazol-4-yl]triazol-4-yl]-1H-indazole is sourced from PubChem (CID 88576092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).