6-(difluoromethyl)-3-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine

C18H20F2N6 — CID 139357700

IUPAC6-(difluoromethyl)-3-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESC[C@@H]1CCC[C@H](C)N1c1ccnc(-c2cnc3cnc(C(F)F)cn23)n1
InChIInChI=1S/C18H20F2N6/c1-11-4-3-5-12(2)26(11)15-6-7-21-18(24-15)14-8-23-16-9-22-13(17(19)20)10-25(14)16/h6-12,17H,3-5H2,1-2H3/t11-,12+
InChIKeyLIZLUCGUAGLTNN-TXEJJXNPSA-N
MW358.40 g/mol
LogP3.89
Rot. Bonds3

About 6-(difluoromethyl)-3-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine

6-(difluoromethyl)-3-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (PubChem CID 139357700) has the molecular formula C18H20F2N6 and a molecular weight of 358.40 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
PubChem CID139357700
Molecular FormulaC18H20F2N6
Molecular Weight358.40 g/mol
Exact Mass358.17
IUPAC Name6-(difluoromethyl)-3-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESC[C@@H]1CCC[C@H](C)N1c1ccnc(-c2cnc3cnc(C(F)F)cn23)n1
InChIInChI=1S/C18H20F2N6/c1-11-4-3-5-12(2)26(11)15-6-7-21-18(24-15)14-8-23-16-9-22-13(17(19)20)10-25(14)16/h6-12,17H,3-5H2,1-2H3/t11-,12+
InChIKeyLIZLUCGUAGLTNN-TXEJJXNPSA-N
XLogP3.89
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.89
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-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The IUPAC name of 6-(difluoromethyl)-3-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (CID 139357700) is 6-(difluoromethyl)-3-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-(difluoromethyl)-3-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(difluoromethyl)-3-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is C[C@@H]1CCC[C@H](C)N1c1ccnc(-c2cnc3cnc(C(F)F)cn23)n1.
What is the InChIKey of 6-(difluoromethyl)-3-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The InChIKey is LIZLUCGUAGLTNN-TXEJJXNPSA-N. The full InChI is InChI=1S/C18H20F2N6/c1-11-4-3-5-12(2)26(11)15-6-7-21-18(24-15)14-8-23-16-9-22-13(17(19)20)10-25(14)16/h6-12,17H,3-5H2,1-2H3/t11-,12+.
What are the key properties of 6-(difluoromethyl)-3-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
6-(difluoromethyl)-3-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine has a molecular weight of 358.40 g/mol, XLogP of 3.89, 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-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139357700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).