N-[6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-5-azaspiro[2.4]heptan-7-amine

C19H19F3N6O — CID 170646416

IUPACN-[6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-5-azaspiro[2.4]heptan-7-amine
SMILESFC(F)(F)COc1cn2c(-c3cccc(NC4CNCC45CC5)n3)cnc2cn1
InChIInChI=1S/C19H19F3N6O/c20-19(21,22)11-29-17-9-28-13(6-24-16(28)8-25-17)12-2-1-3-15(26-12)27-14-7-23-10-18(14)4-5-18/h1-3,6,8-9,14,23H,4-5,7,10-11H2,(H,26,27)
InChIKeyMRNHIUCLCSLSES-UHFFFAOYSA-N
MW404.40 g/mol
LogP2.90
Rot. Bonds5

About N-[6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-5-azaspiro[2.4]heptan-7-amine

N-[6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-5-azaspiro[2.4]heptan-7-amine (PubChem CID 170646416) has the molecular formula C19H19F3N6O and a molecular weight of 404.40 g/mol. Its IUPAC name is N-[6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-5-azaspiro[2.4]heptan-7-amine.

Molecular Properties

Compound NameN-[6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-5-azaspiro[2.4]heptan-7-amine
PubChem CID170646416
Molecular FormulaC19H19F3N6O
Molecular Weight404.40 g/mol
Exact Mass404.16
IUPAC NameN-[6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-5-azaspiro[2.4]heptan-7-amine
SMILESFC(F)(F)COc1cn2c(-c3cccc(NC4CNCC45CC5)n3)cnc2cn1
InChIInChI=1S/C19H19F3N6O/c20-19(21,22)11-29-17-9-28-13(6-24-16(28)8-25-17)12-2-1-3-15(26-12)27-14-7-23-10-18(14)4-5-18/h1-3,6,8-9,14,23H,4-5,7,10-11H2,(H,26,27)
InChIKeyMRNHIUCLCSLSES-UHFFFAOYSA-N
XLogP2.90
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-5-azaspiro[2.4]heptan-7-amine?
The IUPAC name of N-[6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-5-azaspiro[2.4]heptan-7-amine (CID 170646416) is N-[6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-5-azaspiro[2.4]heptan-7-amine.
What is the SMILES notation for N-[6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-5-azaspiro[2.4]heptan-7-amine?
The canonical SMILES for N-[6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-5-azaspiro[2.4]heptan-7-amine is FC(F)(F)COc1cn2c(-c3cccc(NC4CNCC45CC5)n3)cnc2cn1.
What is the InChIKey of N-[6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-5-azaspiro[2.4]heptan-7-amine?
The InChIKey is MRNHIUCLCSLSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O/c20-19(21,22)11-29-17-9-28-13(6-24-16(28)8-25-17)12-2-1-3-15(26-12)27-14-7-23-10-18(14)4-5-18/h1-3,6,8-9,14,23H,4-5,7,10-11H2,(H,26,27).
What are the key properties of N-[6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-5-azaspiro[2.4]heptan-7-amine?
N-[6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-5-azaspiro[2.4]heptan-7-amine has a molecular weight of 404.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazin-3-yl]-2-pyridinyl]-5-azaspiro[2.4]heptan-7-amine is sourced from PubChem (CID 170646416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).