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

C24H18FN5O3S — CID 118273174

IUPAC2-[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(-c3ccccc3C(=O)NC3CC3)cnc12
InChIInChI=1S/C24H18FN5O3S/c1-34(32,33)24-22-27-12-21(17-4-2-3-5-18(17)23(31)28-16-8-9-16)30(22)13-20(29-24)14-6-7-15(11-26)19(25)10-14/h2-7,10,12-13,16H,8-9H2,1H3,(H,28,31)
InChIKeyWYRDNQGVINVLJY-UHFFFAOYSA-N
MW475.51 g/mol
LogP3.37
Rot. Bonds5

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

2-[6-(4-cyano-3-fluorophenyl)-8-methylsulfonylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide (PubChem CID 118273174) has the molecular formula C24H18FN5O3S and a molecular weight of 475.51 g/mol. Its IUPAC name is 2-[6-(4-cyano-3-fluorophenyl)-8-methylsulfonylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name2-[6-(4-cyano-3-fluorophenyl)-8-methylsulfonylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
PubChem CID118273174
Molecular FormulaC24H18FN5O3S
Molecular Weight475.51 g/mol
Exact Mass475.11
IUPAC Name2-[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(-c3ccccc3C(=O)NC3CC3)cnc12
InChIInChI=1S/C24H18FN5O3S/c1-34(32,33)24-22-27-12-21(17-4-2-3-5-18(17)23(31)28-16-8-9-16)30(22)13-20(29-24)14-6-7-15(11-26)19(25)10-14/h2-7,10,12-13,16H,8-9H2,1H3,(H,28,31)
InChIKeyWYRDNQGVINVLJY-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 2-[6-(4-cyano-3-fluorophenyl)-8-methylsulfonylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?
The IUPAC name of 2-[6-(4-cyano-3-fluorophenyl)-8-methylsulfonylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide (CID 118273174) is 2-[6-(4-cyano-3-fluorophenyl)-8-methylsulfonylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide.
What is the SMILES notation for 2-[6-(4-cyano-3-fluorophenyl)-8-methylsulfonylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?
The canonical SMILES for 2-[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(-c3ccccc3C(=O)NC3CC3)cnc12.
What is the InChIKey of 2-[6-(4-cyano-3-fluorophenyl)-8-methylsulfonylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?
The InChIKey is WYRDNQGVINVLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O3S/c1-34(32,33)24-22-27-12-21(17-4-2-3-5-18(17)23(31)28-16-8-9-16)30(22)13-20(29-24)14-6-7-15(11-26)19(25)10-14/h2-7,10,12-13,16H,8-9H2,1H3,(H,28,31).
What are the key properties of 2-[6-(4-cyano-3-fluorophenyl)-8-methylsulfonylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?
2-[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 2-[6-(4-cyano-3-fluorophenyl)-8-methylsulfonylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide is sourced from PubChem (CID 118273174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).