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

C27H28N4O3S — CID 53389635

IUPACN-cyclopropyl-4-[8-(3-methylbutylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCC(C)CCS(=O)(=O)c1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C27H28N4O3S/c1-18(2)14-15-35(33,34)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)
InChIKeyQUBQEEMIZDIMOR-UHFFFAOYSA-N
MW488.61 g/mol
LogP4.78
Rot. Bonds8

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

N-cyclopropyl-4-[8-(3-methylbutylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 53389635) has the molecular formula C27H28N4O3S and a molecular weight of 488.61 g/mol. Its IUPAC name is N-cyclopropyl-4-[8-(3-methylbutylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[8-(3-methylbutylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID53389635
Molecular FormulaC27H28N4O3S
Molecular Weight488.61 g/mol
Exact Mass488.19
IUPAC NameN-cyclopropyl-4-[8-(3-methylbutylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCC(C)CCS(=O)(=O)c1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C27H28N4O3S/c1-18(2)14-15-35(33,34)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)
InChIKeyQUBQEEMIZDIMOR-UHFFFAOYSA-N
XLogP4.78
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[8-(3-methylbutylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[8-(3-methylbutylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide (CID 53389635) is N-cyclopropyl-4-[8-(3-methylbutylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[8-(3-methylbutylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[8-(3-methylbutylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide is CC(C)CCS(=O)(=O)c1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.
What is the InChIKey of N-cyclopropyl-4-[8-(3-methylbutylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is QUBQEEMIZDIMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3S/c1-18(2)14-15-35(33,34)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-methylbutylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
N-cyclopropyl-4-[8-(3-methylbutylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 488.61 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[8-(3-methylbutylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 53389635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).