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

C18H20F2N6S — CID 139359009

IUPAC6-(difluoromethyl)-3-[4-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESCSCC1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1
InChIInChI=1S/C18H20F2N6S/c1-27-11-12-3-2-6-25(9-12)15-4-5-21-18(24-15)14-7-23-16-8-22-13(17(19)20)10-26(14)16/h4-5,7-8,10,12,17H,2-3,6,9,11H2,1H3
InChIKeyWONYEBUDYJQDME-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.70
Rot. Bonds5

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

6-(difluoromethyl)-3-[4-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (PubChem CID 139359009) has the molecular formula C18H20F2N6S and a molecular weight of 390.46 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[4-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[4-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
PubChem CID139359009
Molecular FormulaC18H20F2N6S
Molecular Weight390.46 g/mol
Exact Mass390.14
IUPAC Name6-(difluoromethyl)-3-[4-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESCSCC1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1
InChIInChI=1S/C18H20F2N6S/c1-27-11-12-3-2-6-25(9-12)15-4-5-21-18(24-15)14-7-23-16-8-22-13(17(19)20)10-26(14)16/h4-5,7-8,10,12,17H,2-3,6,9,11H2,1H3
InChIKeyWONYEBUDYJQDME-UHFFFAOYSA-N
XLogP3.70
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.70
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-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The IUPAC name of 6-(difluoromethyl)-3-[4-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (CID 139359009) is 6-(difluoromethyl)-3-[4-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-(difluoromethyl)-3-[4-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(difluoromethyl)-3-[4-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is CSCC1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.
What is the InChIKey of 6-(difluoromethyl)-3-[4-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The InChIKey is WONYEBUDYJQDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N6S/c1-27-11-12-3-2-6-25(9-12)15-4-5-21-18(24-15)14-7-23-16-8-22-13(17(19)20)10-26(14)16/h4-5,7-8,10,12,17H,2-3,6,9,11H2,1H3.
What are the key properties of 6-(difluoromethyl)-3-[4-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
6-(difluoromethyl)-3-[4-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine has a molecular weight of 390.46 g/mol, XLogP of 3.70, 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-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139359009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).