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

C27H28N4OS — CID 53389615

IUPACN-cyclopropyl-4-[8-(3-methylbutylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCC(C)CCSc1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C27H28N4OS/c1-18(2)14-15-33-27-25-28-16-24(31(25)17-23(30-27)19-6-4-3-5-7-19)20-8-10-21(11-9-20)26(32)29-22-12-13-22/h3-11,16-18,22H,12-15H2,1-2H3,(H,29,32)
InChIKeyIENAIQRFNHANDB-UHFFFAOYSA-N
MW456.62 g/mol
LogP6.09
Rot. Bonds8

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

N-cyclopropyl-4-[8-(3-methylbutylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 53389615) has the molecular formula C27H28N4OS and a molecular weight of 456.62 g/mol. Its IUPAC name is N-cyclopropyl-4-[8-(3-methylbutylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[8-(3-methylbutylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID53389615
Molecular FormulaC27H28N4OS
Molecular Weight456.62 g/mol
Exact Mass456.20
IUPAC NameN-cyclopropyl-4-[8-(3-methylbutylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCC(C)CCSc1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C27H28N4OS/c1-18(2)14-15-33-27-25-28-16-24(31(25)17-23(30-27)19-6-4-3-5-7-19)20-8-10-21(11-9-20)26(32)29-22-12-13-22/h3-11,16-18,22H,12-15H2,1-2H3,(H,29,32)
InChIKeyIENAIQRFNHANDB-UHFFFAOYSA-N
XLogP6.09
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.62
LogP ≤ 56.09
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-(3-methylbutylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[8-(3-methylbutylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide (CID 53389615) is N-cyclopropyl-4-[8-(3-methylbutylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[8-(3-methylbutylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[8-(3-methylbutylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide is CC(C)CCSc1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.
What is the InChIKey of N-cyclopropyl-4-[8-(3-methylbutylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is IENAIQRFNHANDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4OS/c1-18(2)14-15-33-27-25-28-16-24(31(25)17-23(30-27)19-6-4-3-5-7-19)20-8-10-21(11-9-20)26(32)29-22-12-13-22/h3-11,16-18,22H,12-15H2,1-2H3,(H,29,32).
What are the key properties of N-cyclopropyl-4-[8-(3-methylbutylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
N-cyclopropyl-4-[8-(3-methylbutylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 456.62 g/mol, XLogP of 6.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[8-(3-methylbutylsulfanyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 53389615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).