N-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine

C19H18F3N5 — CID 166961601

IUPACN-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine
SMILESFC(F)(F)c1ccc2ncc(-c3cccc(NC4CC5(CNC5)C4)n3)n2c1
InChIInChI=1S/C19H18F3N5/c20-19(21,22)12-4-5-17-24-8-15(27(17)9-12)14-2-1-3-16(26-14)25-13-6-18(7-13)10-23-11-18/h1-5,8-9,13,23H,6-7,10-11H2,(H,25,26)
InChIKeyZJYUDYFATNZGGK-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.58
Rot. Bonds3

About N-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine

N-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine (PubChem CID 166961601) has the molecular formula C19H18F3N5 and a molecular weight of 373.38 g/mol. Its IUPAC name is N-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine.

Molecular Properties

Compound NameN-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine
PubChem CID166961601
Molecular FormulaC19H18F3N5
Molecular Weight373.38 g/mol
Exact Mass373.15
IUPAC NameN-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine
SMILESFC(F)(F)c1ccc2ncc(-c3cccc(NC4CC5(CNC5)C4)n3)n2c1
InChIInChI=1S/C19H18F3N5/c20-19(21,22)12-4-5-17-24-8-15(27(17)9-12)14-2-1-3-16(26-14)25-13-6-18(7-13)10-23-11-18/h1-5,8-9,13,23H,6-7,10-11H2,(H,25,26)
InChIKeyZJYUDYFATNZGGK-UHFFFAOYSA-N
XLogP3.58
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine?
The IUPAC name of N-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine (CID 166961601) is N-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine.
What is the SMILES notation for N-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine?
The canonical SMILES for N-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine is FC(F)(F)c1ccc2ncc(-c3cccc(NC4CC5(CNC5)C4)n3)n2c1.
What is the InChIKey of N-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine?
The InChIKey is ZJYUDYFATNZGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5/c20-19(21,22)12-4-5-17-24-8-15(27(17)9-12)14-2-1-3-16(26-14)25-13-6-18(7-13)10-23-11-18/h1-5,8-9,13,23H,6-7,10-11H2,(H,25,26).
What are the key properties of N-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine?
N-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine has a molecular weight of 373.38 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine is sourced from PubChem (CID 166961601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).