4-(5-azaspiro[2.4]heptan-5-yl)-7-fluoro-1-propan-2-ylindazol-5-amine

C16H21FN4 — CID 168989044

IUPAC4-(5-azaspiro[2.4]heptan-5-yl)-7-fluoro-1-propan-2-ylindazol-5-amine
SMILESCC(C)n1ncc2c(N3CCC4(CC4)C3)c(N)cc(F)c21
InChIInChI=1S/C16H21FN4/c1-10(2)21-14-11(8-19-21)15(13(18)7-12(14)17)20-6-5-16(9-20)3-4-16/h7-8,10H,3-6,9,18H2,1-2H3
InChIKeyHKRLDDUYCMMJTE-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.33
Rot. Bonds2

About 4-(5-azaspiro[2.4]heptan-5-yl)-7-fluoro-1-propan-2-ylindazol-5-amine

4-(5-azaspiro[2.4]heptan-5-yl)-7-fluoro-1-propan-2-ylindazol-5-amine (PubChem CID 168989044) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-(5-azaspiro[2.4]heptan-5-yl)-7-fluoro-1-propan-2-ylindazol-5-amine.

Molecular Properties

Compound Name4-(5-azaspiro[2.4]heptan-5-yl)-7-fluoro-1-propan-2-ylindazol-5-amine
PubChem CID168989044
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name4-(5-azaspiro[2.4]heptan-5-yl)-7-fluoro-1-propan-2-ylindazol-5-amine
SMILESCC(C)n1ncc2c(N3CCC4(CC4)C3)c(N)cc(F)c21
InChIInChI=1S/C16H21FN4/c1-10(2)21-14-11(8-19-21)15(13(18)7-12(14)17)20-6-5-16(9-20)3-4-16/h7-8,10H,3-6,9,18H2,1-2H3
InChIKeyHKRLDDUYCMMJTE-UHFFFAOYSA-N
XLogP3.33
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-azaspiro[2.4]heptan-5-yl)-7-fluoro-1-propan-2-ylindazol-5-amine?
The IUPAC name of 4-(5-azaspiro[2.4]heptan-5-yl)-7-fluoro-1-propan-2-ylindazol-5-amine (CID 168989044) is 4-(5-azaspiro[2.4]heptan-5-yl)-7-fluoro-1-propan-2-ylindazol-5-amine.
What is the SMILES notation for 4-(5-azaspiro[2.4]heptan-5-yl)-7-fluoro-1-propan-2-ylindazol-5-amine?
The canonical SMILES for 4-(5-azaspiro[2.4]heptan-5-yl)-7-fluoro-1-propan-2-ylindazol-5-amine is CC(C)n1ncc2c(N3CCC4(CC4)C3)c(N)cc(F)c21.
What is the InChIKey of 4-(5-azaspiro[2.4]heptan-5-yl)-7-fluoro-1-propan-2-ylindazol-5-amine?
The InChIKey is HKRLDDUYCMMJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-10(2)21-14-11(8-19-21)15(13(18)7-12(14)17)20-6-5-16(9-20)3-4-16/h7-8,10H,3-6,9,18H2,1-2H3.
What are the key properties of 4-(5-azaspiro[2.4]heptan-5-yl)-7-fluoro-1-propan-2-ylindazol-5-amine?
4-(5-azaspiro[2.4]heptan-5-yl)-7-fluoro-1-propan-2-ylindazol-5-amine has a molecular weight of 288.37 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-azaspiro[2.4]heptan-5-yl)-7-fluoro-1-propan-2-ylindazol-5-amine is sourced from PubChem (CID 168989044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).