3-(difluoromethyl)-8-[(3R,6R)-6-methylpiperidin-3-yl]oxyimidazo[1,2-a]pyrazine;hydrochloride

C13H17ClF2N4O — CID 121439866

IUPAC3-(difluoromethyl)-8-[(3R,6R)-6-methylpiperidin-3-yl]oxyimidazo[1,2-a]pyrazine;hydrochloride
SMILESC[C@@H]1CC[C@@H](Oc2nccn3c(C(F)F)cnc23)CN1.Cl
InChIInChI=1S/C13H16F2N4O.ClH/c1-8-2-3-9(6-17-8)20-13-12-18-7-10(11(14)15)19(12)5-4-16-13;/h4-5,7-9,11,17H,2-3,6H2,1H3;1H/t8-,9-;/m1./s1
InChIKeySCRMNYUPCIGVOQ-VTLYIQCISA-N
MW318.75 g/mol
LogP2.61
Rot. Bonds3

About 3-(difluoromethyl)-8-[(3R,6R)-6-methylpiperidin-3-yl]oxyimidazo[1,2-a]pyrazine;hydrochloride

3-(difluoromethyl)-8-[(3R,6R)-6-methylpiperidin-3-yl]oxyimidazo[1,2-a]pyrazine;hydrochloride (PubChem CID 121439866) has the molecular formula C13H17ClF2N4O and a molecular weight of 318.75 g/mol. Its IUPAC name is 3-(difluoromethyl)-8-[(3R,6R)-6-methylpiperidin-3-yl]oxyimidazo[1,2-a]pyrazine;hydrochloride.

Molecular Properties

Compound Name3-(difluoromethyl)-8-[(3R,6R)-6-methylpiperidin-3-yl]oxyimidazo[1,2-a]pyrazine;hydrochloride
PubChem CID121439866
Molecular FormulaC13H17ClF2N4O
Molecular Weight318.75 g/mol
Exact Mass318.11
IUPAC Name3-(difluoromethyl)-8-[(3R,6R)-6-methylpiperidin-3-yl]oxyimidazo[1,2-a]pyrazine;hydrochloride
SMILESC[C@@H]1CC[C@@H](Oc2nccn3c(C(F)F)cnc23)CN1.Cl
InChIInChI=1S/C13H16F2N4O.ClH/c1-8-2-3-9(6-17-8)20-13-12-18-7-10(11(14)15)19(12)5-4-16-13;/h4-5,7-9,11,17H,2-3,6H2,1H3;1H/t8-,9-;/m1./s1
InChIKeySCRMNYUPCIGVOQ-VTLYIQCISA-N
XLogP2.61
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.75
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(difluoromethyl)-8-[(3R,6R)-6-methylpiperidin-3-yl]oxyimidazo[1,2-a]pyrazine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-8-[(3R,6R)-6-methylpiperidin-3-yl]oxyimidazo[1,2-a]pyrazine;hydrochloride?
The IUPAC name of 3-(difluoromethyl)-8-[(3R,6R)-6-methylpiperidin-3-yl]oxyimidazo[1,2-a]pyrazine;hydrochloride (CID 121439866) is 3-(difluoromethyl)-8-[(3R,6R)-6-methylpiperidin-3-yl]oxyimidazo[1,2-a]pyrazine;hydrochloride.
What is the SMILES notation for 3-(difluoromethyl)-8-[(3R,6R)-6-methylpiperidin-3-yl]oxyimidazo[1,2-a]pyrazine;hydrochloride?
The canonical SMILES for 3-(difluoromethyl)-8-[(3R,6R)-6-methylpiperidin-3-yl]oxyimidazo[1,2-a]pyrazine;hydrochloride is C[C@@H]1CC[C@@H](Oc2nccn3c(C(F)F)cnc23)CN1.Cl.
What is the InChIKey of 3-(difluoromethyl)-8-[(3R,6R)-6-methylpiperidin-3-yl]oxyimidazo[1,2-a]pyrazine;hydrochloride?
The InChIKey is SCRMNYUPCIGVOQ-VTLYIQCISA-N. The full InChI is InChI=1S/C13H16F2N4O.ClH/c1-8-2-3-9(6-17-8)20-13-12-18-7-10(11(14)15)19(12)5-4-16-13;/h4-5,7-9,11,17H,2-3,6H2,1H3;1H/t8-,9-;/m1./s1.
What are the key properties of 3-(difluoromethyl)-8-[(3R,6R)-6-methylpiperidin-3-yl]oxyimidazo[1,2-a]pyrazine;hydrochloride?
3-(difluoromethyl)-8-[(3R,6R)-6-methylpiperidin-3-yl]oxyimidazo[1,2-a]pyrazine;hydrochloride has a molecular weight of 318.75 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-8-[(3R,6R)-6-methylpiperidin-3-yl]oxyimidazo[1,2-a]pyrazine;hydrochloride is sourced from PubChem (CID 121439866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).