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

C17H14F3N5O2 — CID 118399746

IUPAC[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[8-(1H-pyrazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
SMILESO=C(c1cnc2c(-c3ccn[nH]3)cc(C(F)(F)F)cn12)N1C[C@@H]2C[C@H]1CO2
InChIInChI=1S/C17H14F3N5O2/c18-17(19,20)9-3-12(13-1-2-22-23-13)15-21-5-14(25(15)6-9)16(26)24-7-11-4-10(24)8-27-11/h1-3,5-6,10-11H,4,7-8H2,(H,22,23)/t10-,11-/m0/s1
InChIKeyBCEAVJAZSRXFOL-QWRGUYRKSA-N
MW377.33 g/mol
LogP2.36
Rot. Bonds2

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

[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[8-(1H-pyrazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone (PubChem CID 118399746) has the molecular formula C17H14F3N5O2 and a molecular weight of 377.33 g/mol. Its IUPAC name is [(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[8-(1H-pyrazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone.

Molecular Properties

Compound Name[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[8-(1H-pyrazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
PubChem CID118399746
Molecular FormulaC17H14F3N5O2
Molecular Weight377.33 g/mol
Exact Mass377.11
IUPAC Name[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[8-(1H-pyrazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
SMILESO=C(c1cnc2c(-c3ccn[nH]3)cc(C(F)(F)F)cn12)N1C[C@@H]2C[C@H]1CO2
InChIInChI=1S/C17H14F3N5O2/c18-17(19,20)9-3-12(13-1-2-22-23-13)15-21-5-14(25(15)6-9)16(26)24-7-11-4-10(24)8-27-11/h1-3,5-6,10-11H,4,7-8H2,(H,22,23)/t10-,11-/m0/s1
InChIKeyBCEAVJAZSRXFOL-QWRGUYRKSA-N
XLogP2.36
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[8-(1H-pyrazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone?
The IUPAC name of [(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[8-(1H-pyrazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone (CID 118399746) is [(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[8-(1H-pyrazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone.
What is the SMILES notation for [(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[8-(1H-pyrazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone?
The canonical SMILES for [(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[8-(1H-pyrazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone is O=C(c1cnc2c(-c3ccn[nH]3)cc(C(F)(F)F)cn12)N1C[C@@H]2C[C@H]1CO2.
What is the InChIKey of [(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[8-(1H-pyrazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone?
The InChIKey is BCEAVJAZSRXFOL-QWRGUYRKSA-N. The full InChI is InChI=1S/C17H14F3N5O2/c18-17(19,20)9-3-12(13-1-2-22-23-13)15-21-5-14(25(15)6-9)16(26)24-7-11-4-10(24)8-27-11/h1-3,5-6,10-11H,4,7-8H2,(H,22,23)/t10-,11-/m0/s1.
What are the key properties of [(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[8-(1H-pyrazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone?
[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[8-(1H-pyrazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone has a molecular weight of 377.33 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-[8-(1H-pyrazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone is sourced from PubChem (CID 118399746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).