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

C20H24F2N6OS — CID 139343652

IUPAC6-(difluoromethyl)-3-[4-[2,5-dimethyl-3-(methylsulfinylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESCC1CC(CS(C)=O)C(C)N(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1
InChIInChI=1S/C20H24F2N6OS/c1-12-6-14(11-30(3)29)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
InChIKeyIMVAWMHTFQARJC-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.35
Rot. Bonds5

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

6-(difluoromethyl)-3-[4-[2,5-dimethyl-3-(methylsulfinylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (PubChem CID 139343652) has the molecular formula C20H24F2N6OS and a molecular weight of 434.52 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[4-[2,5-dimethyl-3-(methylsulfinylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[4-[2,5-dimethyl-3-(methylsulfinylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
PubChem CID139343652
Molecular FormulaC20H24F2N6OS
Molecular Weight434.52 g/mol
Exact Mass434.17
IUPAC Name6-(difluoromethyl)-3-[4-[2,5-dimethyl-3-(methylsulfinylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESCC1CC(CS(C)=O)C(C)N(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1
InChIInChI=1S/C20H24F2N6OS/c1-12-6-14(11-30(3)29)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
InChIKeyIMVAWMHTFQARJC-UHFFFAOYSA-N
XLogP3.35
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.35
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-(methylsulfinylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The IUPAC name of 6-(difluoromethyl)-3-[4-[2,5-dimethyl-3-(methylsulfinylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (CID 139343652) is 6-(difluoromethyl)-3-[4-[2,5-dimethyl-3-(methylsulfinylmethyl)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-(methylsulfinylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(difluoromethyl)-3-[4-[2,5-dimethyl-3-(methylsulfinylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is CC1CC(CS(C)=O)C(C)N(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.
What is the InChIKey of 6-(difluoromethyl)-3-[4-[2,5-dimethyl-3-(methylsulfinylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The InChIKey is IMVAWMHTFQARJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N6OS/c1-12-6-14(11-30(3)29)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-(methylsulfinylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
6-(difluoromethyl)-3-[4-[2,5-dimethyl-3-(methylsulfinylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine has a molecular weight of 434.52 g/mol, XLogP of 3.35, 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-(methylsulfinylmethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139343652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).