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

C24H22N4OS — CID 53389931

IUPACN-cyclopropyl-4-(8-ethylsulfanyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide
SMILESCCSc1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C24H22N4OS/c1-2-30-24-22-25-14-21(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)
InChIKeyKHYYDBOJAJOGDO-UHFFFAOYSA-N
MW414.53 g/mol
LogP5.07
Rot. Bonds6

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

N-cyclopropyl-4-(8-ethylsulfanyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide (PubChem CID 53389931) has the molecular formula C24H22N4OS and a molecular weight of 414.53 g/mol. Its IUPAC name is N-cyclopropyl-4-(8-ethylsulfanyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(8-ethylsulfanyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide
PubChem CID53389931
Molecular FormulaC24H22N4OS
Molecular Weight414.53 g/mol
Exact Mass414.15
IUPAC NameN-cyclopropyl-4-(8-ethylsulfanyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide
SMILESCCSc1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C24H22N4OS/c1-2-30-24-22-25-14-21(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)
InChIKeyKHYYDBOJAJOGDO-UHFFFAOYSA-N
XLogP5.07
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.53
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(8-ethylsulfanyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide?
The IUPAC name of N-cyclopropyl-4-(8-ethylsulfanyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide (CID 53389931) is N-cyclopropyl-4-(8-ethylsulfanyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-(8-ethylsulfanyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide?
The canonical SMILES for N-cyclopropyl-4-(8-ethylsulfanyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide is CCSc1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.
What is the InChIKey of N-cyclopropyl-4-(8-ethylsulfanyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide?
The InChIKey is KHYYDBOJAJOGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4OS/c1-2-30-24-22-25-14-21(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-ethylsulfanyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide?
N-cyclopropyl-4-(8-ethylsulfanyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide has a molecular weight of 414.53 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(8-ethylsulfanyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide is sourced from PubChem (CID 53389931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).