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

C24H22N4O3S — CID 53389933

IUPACN-cyclopropyl-4-(8-ethylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide
SMILESCCS(=O)(=O)c1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C24H22N4O3S/c1-2-32(30,31)24-22-25-14-21(28(22)15-20(27-24)16-6-4-3-5-7-16)17-8-10-18(11-9-17)23(29)26-19-12-13-19/h3-11,14-15,19H,2,12-13H2,1H3,(H,26,29)
InChIKeyORXLRIPWJGQAGY-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.75
Rot. Bonds6

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

N-cyclopropyl-4-(8-ethylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide (PubChem CID 53389933) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-cyclopropyl-4-(8-ethylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(8-ethylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide
PubChem CID53389933
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC NameN-cyclopropyl-4-(8-ethylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide
SMILESCCS(=O)(=O)c1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C24H22N4O3S/c1-2-32(30,31)24-22-25-14-21(28(22)15-20(27-24)16-6-4-3-5-7-16)17-8-10-18(11-9-17)23(29)26-19-12-13-19/h3-11,14-15,19H,2,12-13H2,1H3,(H,26,29)
InChIKeyORXLRIPWJGQAGY-UHFFFAOYSA-N
XLogP3.75
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 57382738
CID 57382738
CID 45486526
CID 45486526
CID 11222404
CID 11222404
CID 45271839
CID 45271839
CID 50914591
CID 50914591
CID 50914592
CID 50914592
CID 50914874
CID 50914874
CID 50914875
CID 50914875
CID 57379118
CID 57379118

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(8-ethylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide?
The IUPAC name of N-cyclopropyl-4-(8-ethylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide (CID 53389933) is N-cyclopropyl-4-(8-ethylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-(8-ethylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide?
The canonical SMILES for N-cyclopropyl-4-(8-ethylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide is CCS(=O)(=O)c1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.
What is the InChIKey of N-cyclopropyl-4-(8-ethylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide?
The InChIKey is ORXLRIPWJGQAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-2-32(30,31)24-22-25-14-21(28(22)15-20(27-24)16-6-4-3-5-7-16)17-8-10-18(11-9-17)23(29)26-19-12-13-19/h3-11,14-15,19H,2,12-13H2,1H3,(H,26,29).
What are the key properties of N-cyclopropyl-4-(8-ethylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide?
N-cyclopropyl-4-(8-ethylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide has a molecular weight of 446.53 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(8-ethylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide is sourced from PubChem (CID 53389933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).