6-(difluoromethyl)-3-[4-[2,5-dimethyl-3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine

C20H24F2N6S — CID 139359050

IUPAC6-(difluoromethyl)-3-[4-[2,5-dimethyl-3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESCSCC1CC(C)CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1C
InChIInChI=1S/C20H24F2N6S/c1-12-6-14(11-29-3)13(2)27(9-12)17-4-5-23-20(26-17)16-7-25-18-8-24-15(19(21)22)10-28(16)18/h4-5,7-8,10,12-14,19H,6,9,11H2,1-3H3
InChIKeyLYPQNUYIWKGMQQ-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.34
Rot. Bonds5

About 6-(difluoromethyl)-3-[4-[2,5-dimethyl-3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine

6-(difluoromethyl)-3-[4-[2,5-dimethyl-3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (PubChem CID 139359050) has the molecular formula C20H24F2N6S and a molecular weight of 418.52 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[4-[2,5-dimethyl-3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[4-[2,5-dimethyl-3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
PubChem CID139359050
Molecular FormulaC20H24F2N6S
Molecular Weight418.52 g/mol
Exact Mass418.18
IUPAC Name6-(difluoromethyl)-3-[4-[2,5-dimethyl-3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESCSCC1CC(C)CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1C
InChIInChI=1S/C20H24F2N6S/c1-12-6-14(11-29-3)13(2)27(9-12)17-4-5-23-20(26-17)16-7-25-18-8-24-15(19(21)22)10-28(16)18/h4-5,7-8,10,12-14,19H,6,9,11H2,1-3H3
InChIKeyLYPQNUYIWKGMQQ-UHFFFAOYSA-N
XLogP4.34
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[4-[2,5-dimethyl-3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The IUPAC name of 6-(difluoromethyl)-3-[4-[2,5-dimethyl-3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (CID 139359050) is 6-(difluoromethyl)-3-[4-[2,5-dimethyl-3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-(difluoromethyl)-3-[4-[2,5-dimethyl-3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(difluoromethyl)-3-[4-[2,5-dimethyl-3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is CSCC1CC(C)CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1C.
What is the InChIKey of 6-(difluoromethyl)-3-[4-[2,5-dimethyl-3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The InChIKey is LYPQNUYIWKGMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N6S/c1-12-6-14(11-29-3)13(2)27(9-12)17-4-5-23-20(26-17)16-7-25-18-8-24-15(19(21)22)10-28(16)18/h4-5,7-8,10,12-14,19H,6,9,11H2,1-3H3.
What are the key properties of 6-(difluoromethyl)-3-[4-[2,5-dimethyl-3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
6-(difluoromethyl)-3-[4-[2,5-dimethyl-3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine has a molecular weight of 418.52 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-[4-[2,5-dimethyl-3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139359050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).