[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone

C14H13F3N4O2 — CID 118378989

IUPAC[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone
SMILESNc1cc(C(F)(F)F)cn2c(C(=O)N3C[C@@H]4C[C@H]3CO4)cnc12
InChIInChI=1S/C14H13F3N4O2/c15-14(16,17)7-1-10(18)12-19-3-11(21(12)4-7)13(22)20-5-9-2-8(20)6-23-9/h1,3-4,8-9H,2,5-6,18H2/t8-,9-/m0/s1
InChIKeyMETHCLHLKKCMCL-IUCAKERBSA-N
MW326.28 g/mol
LogP1.55
Rot. Bonds1

About [8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone

[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone (PubChem CID 118378989) has the molecular formula C14H13F3N4O2 and a molecular weight of 326.28 g/mol. Its IUPAC name is [8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone.

Molecular Properties

Compound Name[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone
PubChem CID118378989
Molecular FormulaC14H13F3N4O2
Molecular Weight326.28 g/mol
Exact Mass326.10
IUPAC Name[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone
SMILESNc1cc(C(F)(F)F)cn2c(C(=O)N3C[C@@H]4C[C@H]3CO4)cnc12
InChIInChI=1S/C14H13F3N4O2/c15-14(16,17)7-1-10(18)12-19-3-11(21(12)4-7)13(22)20-5-9-2-8(20)6-23-9/h1,3-4,8-9H,2,5-6,18H2/t8-,9-/m0/s1
InChIKeyMETHCLHLKKCMCL-IUCAKERBSA-N
XLogP1.55
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone?
The IUPAC name of [8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone (CID 118378989) is [8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone.
What is the SMILES notation for [8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone?
The canonical SMILES for [8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone is Nc1cc(C(F)(F)F)cn2c(C(=O)N3C[C@@H]4C[C@H]3CO4)cnc12.
What is the InChIKey of [8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone?
The InChIKey is METHCLHLKKCMCL-IUCAKERBSA-N. The full InChI is InChI=1S/C14H13F3N4O2/c15-14(16,17)7-1-10(18)12-19-3-11(21(12)4-7)13(22)20-5-9-2-8(20)6-23-9/h1,3-4,8-9H,2,5-6,18H2/t8-,9-/m0/s1.
What are the key properties of [8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone?
[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone has a molecular weight of 326.28 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone is sourced from PubChem (CID 118378989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).