4-[6-(4-cyano-3-fluorophenyl)-8-methylsulfonylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide

C24H18FN5O3S — CID 118273154

IUPAC4-[6-(4-cyano-3-fluorophenyl)-8-methylsulfonylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
SMILESCS(=O)(=O)c1nc(-c2ccc(C#N)c(F)c2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C24H18FN5O3S/c1-34(32,33)24-22-27-12-21(14-2-4-15(5-3-14)23(31)28-18-8-9-18)30(22)13-20(29-24)16-6-7-17(11-26)19(25)10-16/h2-7,10,12-13,18H,8-9H2,1H3,(H,28,31)
InChIKeyIIESWOGTVULMHF-UHFFFAOYSA-N
MW475.51 g/mol
LogP3.37
Rot. Bonds5

About 4-[6-(4-cyano-3-fluorophenyl)-8-methylsulfonylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide

4-[6-(4-cyano-3-fluorophenyl)-8-methylsulfonylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide (PubChem CID 118273154) has the molecular formula C24H18FN5O3S and a molecular weight of 475.51 g/mol. Its IUPAC name is 4-[6-(4-cyano-3-fluorophenyl)-8-methylsulfonylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[6-(4-cyano-3-fluorophenyl)-8-methylsulfonylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
PubChem CID118273154
Molecular FormulaC24H18FN5O3S
Molecular Weight475.51 g/mol
Exact Mass475.11
IUPAC Name4-[6-(4-cyano-3-fluorophenyl)-8-methylsulfonylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
SMILESCS(=O)(=O)c1nc(-c2ccc(C#N)c(F)c2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C24H18FN5O3S/c1-34(32,33)24-22-27-12-21(14-2-4-15(5-3-14)23(31)28-18-8-9-18)30(22)13-20(29-24)16-6-7-17(11-26)19(25)10-16/h2-7,10,12-13,18H,8-9H2,1H3,(H,28,31)
InChIKeyIIESWOGTVULMHF-UHFFFAOYSA-N
XLogP3.37
TPSA117.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-cyano-3-fluorophenyl)-8-methylsulfonylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[6-(4-cyano-3-fluorophenyl)-8-methylsulfonylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide (CID 118273154) is 4-[6-(4-cyano-3-fluorophenyl)-8-methylsulfonylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[6-(4-cyano-3-fluorophenyl)-8-methylsulfonylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[6-(4-cyano-3-fluorophenyl)-8-methylsulfonylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide is CS(=O)(=O)c1nc(-c2ccc(C#N)c(F)c2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.
What is the InChIKey of 4-[6-(4-cyano-3-fluorophenyl)-8-methylsulfonylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?
The InChIKey is IIESWOGTVULMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O3S/c1-34(32,33)24-22-27-12-21(14-2-4-15(5-3-14)23(31)28-18-8-9-18)30(22)13-20(29-24)16-6-7-17(11-26)19(25)10-16/h2-7,10,12-13,18H,8-9H2,1H3,(H,28,31).
What are the key properties of 4-[6-(4-cyano-3-fluorophenyl)-8-methylsulfonylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?
4-[6-(4-cyano-3-fluorophenyl)-8-methylsulfonylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide has a molecular weight of 475.51 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-cyano-3-fluorophenyl)-8-methylsulfonylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide is sourced from PubChem (CID 118273154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).