6-[(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-1H-indazole

C14H16FN3 — CID 170951262

IUPAC6-[(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-1H-indazole
SMILESFC1CC2(C1)CN(Cc1ccc3cn[nH]c3c1)C2
InChIInChI=1S/C14H16FN3/c15-12-4-14(5-12)8-18(9-14)7-10-1-2-11-6-16-17-13(11)3-10/h1-3,6,12H,4-5,7-9H2,(H,16,17)
InChIKeyQAHAIANLWCIFKY-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.50
Rot. Bonds2

About 6-[(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-1H-indazole

6-[(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-1H-indazole (PubChem CID 170951262) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 6-[(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-1H-indazole.

Molecular Properties

Compound Name6-[(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-1H-indazole
PubChem CID170951262
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name6-[(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-1H-indazole
SMILESFC1CC2(C1)CN(Cc1ccc3cn[nH]c3c1)C2
InChIInChI=1S/C14H16FN3/c15-12-4-14(5-12)8-18(9-14)7-10-1-2-11-6-16-17-13(11)3-10/h1-3,6,12H,4-5,7-9H2,(H,16,17)
InChIKeyQAHAIANLWCIFKY-UHFFFAOYSA-N
XLogP2.50
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-1H-indazole?
The IUPAC name of 6-[(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-1H-indazole (CID 170951262) is 6-[(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-1H-indazole.
What is the SMILES notation for 6-[(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-1H-indazole?
The canonical SMILES for 6-[(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-1H-indazole is FC1CC2(C1)CN(Cc1ccc3cn[nH]c3c1)C2.
What is the InChIKey of 6-[(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-1H-indazole?
The InChIKey is QAHAIANLWCIFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c15-12-4-14(5-12)8-18(9-14)7-10-1-2-11-6-16-17-13(11)3-10/h1-3,6,12H,4-5,7-9H2,(H,16,17).
What are the key properties of 6-[(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-1H-indazole?
6-[(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-1H-indazole has a molecular weight of 245.30 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-fluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-1H-indazole is sourced from PubChem (CID 170951262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).