[3-(difluoromethyl)piperazin-1-yl]-[3-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]methanone

C13H12F5N5O — CID 166298809

IUPAC[3-(difluoromethyl)piperazin-1-yl]-[3-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]methanone
SMILESO=C(c1nc(C(F)(F)F)n2ccncc12)N1CCNC(C(F)F)C1
InChIInChI=1S/C13H12F5N5O/c14-10(15)7-6-22(3-2-20-7)11(24)9-8-5-19-1-4-23(8)12(21-9)13(16,17)18/h1,4-5,7,10,20H,2-3,6H2
InChIKeyCNKISYZXWGBUFK-UHFFFAOYSA-N
MW349.26 g/mol
LogP1.43
Rot. Bonds2

About [3-(difluoromethyl)piperazin-1-yl]-[3-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]methanone

[3-(difluoromethyl)piperazin-1-yl]-[3-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]methanone (PubChem CID 166298809) has the molecular formula C13H12F5N5O and a molecular weight of 349.26 g/mol. Its IUPAC name is [3-(difluoromethyl)piperazin-1-yl]-[3-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(difluoromethyl)piperazin-1-yl]-[3-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]methanone
PubChem CID166298809
Molecular FormulaC13H12F5N5O
Molecular Weight349.26 g/mol
Exact Mass349.10
IUPAC Name[3-(difluoromethyl)piperazin-1-yl]-[3-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]methanone
SMILESO=C(c1nc(C(F)(F)F)n2ccncc12)N1CCNC(C(F)F)C1
InChIInChI=1S/C13H12F5N5O/c14-10(15)7-6-22(3-2-20-7)11(24)9-8-5-19-1-4-23(8)12(21-9)13(16,17)18/h1,4-5,7,10,20H,2-3,6H2
InChIKeyCNKISYZXWGBUFK-UHFFFAOYSA-N
XLogP1.43
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)piperazin-1-yl]-[3-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]methanone?
The IUPAC name of [3-(difluoromethyl)piperazin-1-yl]-[3-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]methanone (CID 166298809) is [3-(difluoromethyl)piperazin-1-yl]-[3-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]methanone.
What is the SMILES notation for [3-(difluoromethyl)piperazin-1-yl]-[3-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]methanone?
The canonical SMILES for [3-(difluoromethyl)piperazin-1-yl]-[3-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]methanone is O=C(c1nc(C(F)(F)F)n2ccncc12)N1CCNC(C(F)F)C1.
What is the InChIKey of [3-(difluoromethyl)piperazin-1-yl]-[3-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]methanone?
The InChIKey is CNKISYZXWGBUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F5N5O/c14-10(15)7-6-22(3-2-20-7)11(24)9-8-5-19-1-4-23(8)12(21-9)13(16,17)18/h1,4-5,7,10,20H,2-3,6H2.
What are the key properties of [3-(difluoromethyl)piperazin-1-yl]-[3-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]methanone?
[3-(difluoromethyl)piperazin-1-yl]-[3-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]methanone has a molecular weight of 349.26 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)piperazin-1-yl]-[3-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]methanone is sourced from PubChem (CID 166298809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).