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

C26H26N4OS — CID 53389612

IUPACN-cyclopropyl-4-[8-(2-methylpropylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCC(C)CSc1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C26H26N4OS/c1-17(2)16-32-26-24-27-14-23(30(24)15-22(29-26)18-6-4-3-5-7-18)19-8-10-20(11-9-19)25(31)28-21-12-13-21/h3-11,14-15,17,21H,12-13,16H2,1-2H3,(H,28,31)
InChIKeyMKSWOOBPSXULDE-UHFFFAOYSA-N
MW442.59 g/mol
LogP5.70
Rot. Bonds7

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

N-cyclopropyl-4-[8-(2-methylpropylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 53389612) has the molecular formula C26H26N4OS and a molecular weight of 442.59 g/mol. Its IUPAC name is N-cyclopropyl-4-[8-(2-methylpropylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[8-(2-methylpropylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID53389612
Molecular FormulaC26H26N4OS
Molecular Weight442.59 g/mol
Exact Mass442.18
IUPAC NameN-cyclopropyl-4-[8-(2-methylpropylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCC(C)CSc1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C26H26N4OS/c1-17(2)16-32-26-24-27-14-23(30(24)15-22(29-26)18-6-4-3-5-7-18)19-8-10-20(11-9-19)25(31)28-21-12-13-21/h3-11,14-15,17,21H,12-13,16H2,1-2H3,(H,28,31)
InChIKeyMKSWOOBPSXULDE-UHFFFAOYSA-N
XLogP5.70
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.59
LogP ≤ 55.70
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-(2-methylpropylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[8-(2-methylpropylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide (CID 53389612) is N-cyclopropyl-4-[8-(2-methylpropylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[8-(2-methylpropylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[8-(2-methylpropylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide is CC(C)CSc1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.
What is the InChIKey of N-cyclopropyl-4-[8-(2-methylpropylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is MKSWOOBPSXULDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4OS/c1-17(2)16-32-26-24-27-14-23(30(24)15-22(29-26)18-6-4-3-5-7-18)19-8-10-20(11-9-19)25(31)28-21-12-13-21/h3-11,14-15,17,21H,12-13,16H2,1-2H3,(H,28,31).
What are the key properties of N-cyclopropyl-4-[8-(2-methylpropylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
N-cyclopropyl-4-[8-(2-methylpropylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 442.59 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[8-(2-methylpropylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 53389612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).