N-cyclopropyl-4-(6-phenyl-8-propylsulfonylimidazo[1,2-a]pyrazin-3-yl)benzamide

C25H24N4O3S — CID 53389973

IUPACN-cyclopropyl-4-(6-phenyl-8-propylsulfonylimidazo[1,2-a]pyrazin-3-yl)benzamide
SMILESCCCS(=O)(=O)c1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C25H24N4O3S/c1-2-14-33(31,32)25-23-26-15-22(29(23)16-21(28-25)17-6-4-3-5-7-17)18-8-10-19(11-9-18)24(30)27-20-12-13-20/h3-11,15-16,20H,2,12-14H2,1H3,(H,27,30)
InChIKeyFQLPCRDJOWEULY-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.14
Rot. Bonds7

About N-cyclopropyl-4-(6-phenyl-8-propylsulfonylimidazo[1,2-a]pyrazin-3-yl)benzamide

N-cyclopropyl-4-(6-phenyl-8-propylsulfonylimidazo[1,2-a]pyrazin-3-yl)benzamide (PubChem CID 53389973) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-cyclopropyl-4-(6-phenyl-8-propylsulfonylimidazo[1,2-a]pyrazin-3-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(6-phenyl-8-propylsulfonylimidazo[1,2-a]pyrazin-3-yl)benzamide
PubChem CID53389973
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC NameN-cyclopropyl-4-(6-phenyl-8-propylsulfonylimidazo[1,2-a]pyrazin-3-yl)benzamide
SMILESCCCS(=O)(=O)c1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C25H24N4O3S/c1-2-14-33(31,32)25-23-26-15-22(29(23)16-21(28-25)17-6-4-3-5-7-17)18-8-10-19(11-9-18)24(30)27-20-12-13-20/h3-11,15-16,20H,2,12-14H2,1H3,(H,27,30)
InChIKeyFQLPCRDJOWEULY-UHFFFAOYSA-N
XLogP4.14
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(6-phenyl-8-propylsulfonylimidazo[1,2-a]pyrazin-3-yl)benzamide?
The IUPAC name of N-cyclopropyl-4-(6-phenyl-8-propylsulfonylimidazo[1,2-a]pyrazin-3-yl)benzamide (CID 53389973) is N-cyclopropyl-4-(6-phenyl-8-propylsulfonylimidazo[1,2-a]pyrazin-3-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-(6-phenyl-8-propylsulfonylimidazo[1,2-a]pyrazin-3-yl)benzamide?
The canonical SMILES for N-cyclopropyl-4-(6-phenyl-8-propylsulfonylimidazo[1,2-a]pyrazin-3-yl)benzamide is CCCS(=O)(=O)c1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.
What is the InChIKey of N-cyclopropyl-4-(6-phenyl-8-propylsulfonylimidazo[1,2-a]pyrazin-3-yl)benzamide?
The InChIKey is FQLPCRDJOWEULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-2-14-33(31,32)25-23-26-15-22(29(23)16-21(28-25)17-6-4-3-5-7-17)18-8-10-19(11-9-18)24(30)27-20-12-13-20/h3-11,15-16,20H,2,12-14H2,1H3,(H,27,30).
What are the key properties of N-cyclopropyl-4-(6-phenyl-8-propylsulfonylimidazo[1,2-a]pyrazin-3-yl)benzamide?
N-cyclopropyl-4-(6-phenyl-8-propylsulfonylimidazo[1,2-a]pyrazin-3-yl)benzamide has a molecular weight of 460.56 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(6-phenyl-8-propylsulfonylimidazo[1,2-a]pyrazin-3-yl)benzamide is sourced from PubChem (CID 53389973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).