2-(4-fluorophenyl)-6,8-dimethyl-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyrazine

C19H16FN5O2S — CID 68676687

IUPAC2-(4-fluorophenyl)-6,8-dimethyl-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyrazine
SMILESCc1cn2c(-c3ccnc(S(C)(=O)=O)n3)c(-c3ccc(F)cc3)nc2c(C)n1
InChIInChI=1S/C19H16FN5O2S/c1-11-10-25-17(15-8-9-21-19(23-15)28(3,26)27)16(24-18(25)12(2)22-11)13-4-6-14(20)7-5-13/h4-10H,1-3H3
InChIKeyXIEJYTFGUWMLBC-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.01
Rot. Bonds3

About 2-(4-fluorophenyl)-6,8-dimethyl-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyrazine

2-(4-fluorophenyl)-6,8-dimethyl-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyrazine (PubChem CID 68676687) has the molecular formula C19H16FN5O2S and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6,8-dimethyl-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6,8-dimethyl-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyrazine
PubChem CID68676687
Molecular FormulaC19H16FN5O2S
Molecular Weight397.44 g/mol
Exact Mass397.10
IUPAC Name2-(4-fluorophenyl)-6,8-dimethyl-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyrazine
SMILESCc1cn2c(-c3ccnc(S(C)(=O)=O)n3)c(-c3ccc(F)cc3)nc2c(C)n1
InChIInChI=1S/C19H16FN5O2S/c1-11-10-25-17(15-8-9-21-19(23-15)28(3,26)27)16(24-18(25)12(2)22-11)13-4-6-14(20)7-5-13/h4-10H,1-3H3
InChIKeyXIEJYTFGUWMLBC-UHFFFAOYSA-N
XLogP3.01
TPSA90.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6,8-dimethyl-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyrazine?
The IUPAC name of 2-(4-fluorophenyl)-6,8-dimethyl-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyrazine (CID 68676687) is 2-(4-fluorophenyl)-6,8-dimethyl-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 2-(4-fluorophenyl)-6,8-dimethyl-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 2-(4-fluorophenyl)-6,8-dimethyl-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyrazine is Cc1cn2c(-c3ccnc(S(C)(=O)=O)n3)c(-c3ccc(F)cc3)nc2c(C)n1.
What is the InChIKey of 2-(4-fluorophenyl)-6,8-dimethyl-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyrazine?
The InChIKey is XIEJYTFGUWMLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2S/c1-11-10-25-17(15-8-9-21-19(23-15)28(3,26)27)16(24-18(25)12(2)22-11)13-4-6-14(20)7-5-13/h4-10H,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-6,8-dimethyl-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyrazine?
2-(4-fluorophenyl)-6,8-dimethyl-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyrazine has a molecular weight of 397.44 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6,8-dimethyl-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 68676687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).