3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-piperidin-4-ylimidazo[1,2-a]pyrazine;hydrochloride

C20H23ClF2N4O — CID 118207230

IUPAC3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-piperidin-4-ylimidazo[1,2-a]pyrazine;hydrochloride
SMILESCc1nc2cnc(C3CCNCC3)cn2c1Cc1ccccc1OC(F)F.Cl
InChIInChI=1S/C20H22F2N4O.ClH/c1-13-17(10-15-4-2-3-5-18(15)27-20(21)22)26-12-16(24-11-19(26)25-13)14-6-8-23-9-7-14;/h2-5,11-12,14,20,23H,6-10H2,1H3;1H
InChIKeyOZXLEHTUVKIDSK-UHFFFAOYSA-N
MW408.88 g/mol
LogP4.12
Rot. Bonds5

About 3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-piperidin-4-ylimidazo[1,2-a]pyrazine;hydrochloride

3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-piperidin-4-ylimidazo[1,2-a]pyrazine;hydrochloride (PubChem CID 118207230) has the molecular formula C20H23ClF2N4O and a molecular weight of 408.88 g/mol. Its IUPAC name is 3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-piperidin-4-ylimidazo[1,2-a]pyrazine;hydrochloride.

Molecular Properties

Compound Name3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-piperidin-4-ylimidazo[1,2-a]pyrazine;hydrochloride
PubChem CID118207230
Molecular FormulaC20H23ClF2N4O
Molecular Weight408.88 g/mol
Exact Mass408.15
IUPAC Name3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-piperidin-4-ylimidazo[1,2-a]pyrazine;hydrochloride
SMILESCc1nc2cnc(C3CCNCC3)cn2c1Cc1ccccc1OC(F)F.Cl
InChIInChI=1S/C20H22F2N4O.ClH/c1-13-17(10-15-4-2-3-5-18(15)27-20(21)22)26-12-16(24-11-19(26)25-13)14-6-8-23-9-7-14;/h2-5,11-12,14,20,23H,6-10H2,1H3;1H
InChIKeyOZXLEHTUVKIDSK-UHFFFAOYSA-N
XLogP4.12
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.88
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-piperidin-4-ylimidazo[1,2-a]pyrazine;hydrochloride?
The IUPAC name of 3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-piperidin-4-ylimidazo[1,2-a]pyrazine;hydrochloride (CID 118207230) is 3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-piperidin-4-ylimidazo[1,2-a]pyrazine;hydrochloride.
What is the SMILES notation for 3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-piperidin-4-ylimidazo[1,2-a]pyrazine;hydrochloride?
The canonical SMILES for 3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-piperidin-4-ylimidazo[1,2-a]pyrazine;hydrochloride is Cc1nc2cnc(C3CCNCC3)cn2c1Cc1ccccc1OC(F)F.Cl.
What is the InChIKey of 3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-piperidin-4-ylimidazo[1,2-a]pyrazine;hydrochloride?
The InChIKey is OZXLEHTUVKIDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O.ClH/c1-13-17(10-15-4-2-3-5-18(15)27-20(21)22)26-12-16(24-11-19(26)25-13)14-6-8-23-9-7-14;/h2-5,11-12,14,20,23H,6-10H2,1H3;1H.
What are the key properties of 3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-piperidin-4-ylimidazo[1,2-a]pyrazine;hydrochloride?
3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-piperidin-4-ylimidazo[1,2-a]pyrazine;hydrochloride has a molecular weight of 408.88 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-6-piperidin-4-ylimidazo[1,2-a]pyrazine;hydrochloride is sourced from PubChem (CID 118207230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).