6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine

C16H16F2N6 — CID 139357993

IUPAC6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine
SMILESFC(F)c1cn2c(-c3nccc(N4CCCCC4)n3)cnc2cn1
InChIInChI=1S/C16H16F2N6/c17-15(18)11-10-24-12(8-21-14(24)9-20-11)16-19-5-4-13(22-16)23-6-2-1-3-7-23/h4-5,8-10,15H,1-3,6-7H2
InChIKeyGLJWUWNTLLMIKZ-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.11
Rot. Bonds3

About 6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine

6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine (PubChem CID 139357993) has the molecular formula C16H16F2N6 and a molecular weight of 330.34 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine
PubChem CID139357993
Molecular FormulaC16H16F2N6
Molecular Weight330.34 g/mol
Exact Mass330.14
IUPAC Name6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine
SMILESFC(F)c1cn2c(-c3nccc(N4CCCCC4)n3)cnc2cn1
InChIInChI=1S/C16H16F2N6/c17-15(18)11-10-24-12(8-21-14(24)9-20-11)16-19-5-4-13(22-16)23-6-2-1-3-7-23/h4-5,8-10,15H,1-3,6-7H2
InChIKeyGLJWUWNTLLMIKZ-UHFFFAOYSA-N
XLogP3.11
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine?
The IUPAC name of 6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine (CID 139357993) is 6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine is FC(F)c1cn2c(-c3nccc(N4CCCCC4)n3)cnc2cn1.
What is the InChIKey of 6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine?
The InChIKey is GLJWUWNTLLMIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N6/c17-15(18)11-10-24-12(8-21-14(24)9-20-11)16-19-5-4-13(22-16)23-6-2-1-3-7-23/h4-5,8-10,15H,1-3,6-7H2.
What are the key properties of 6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine?
6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine has a molecular weight of 330.34 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-(4-piperidin-1-ylpyrimidin-2-yl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139357993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).