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

C28H30N4O3S — CID 53390014

IUPACN-cyclopropyl-4-[8-(3,3-dimethylbutylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCC(C)(C)CCS(=O)(=O)c1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C28H30N4O3S/c1-28(2,3)15-16-36(34,35)27-25-29-17-24(32(25)18-23(31-27)19-7-5-4-6-8-19)20-9-11-21(12-10-20)26(33)30-22-13-14-22/h4-12,17-18,22H,13-16H2,1-3H3,(H,30,33)
InChIKeyONROPVAZOBISJG-UHFFFAOYSA-N
MW502.64 g/mol
LogP5.17
Rot. Bonds7

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

N-cyclopropyl-4-[8-(3,3-dimethylbutylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 53390014) has the molecular formula C28H30N4O3S and a molecular weight of 502.64 g/mol. Its IUPAC name is N-cyclopropyl-4-[8-(3,3-dimethylbutylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[8-(3,3-dimethylbutylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID53390014
Molecular FormulaC28H30N4O3S
Molecular Weight502.64 g/mol
Exact Mass502.20
IUPAC NameN-cyclopropyl-4-[8-(3,3-dimethylbutylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCC(C)(C)CCS(=O)(=O)c1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C28H30N4O3S/c1-28(2,3)15-16-36(34,35)27-25-29-17-24(32(25)18-23(31-27)19-7-5-4-6-8-19)20-9-11-21(12-10-20)26(33)30-22-13-14-22/h4-12,17-18,22H,13-16H2,1-3H3,(H,30,33)
InChIKeyONROPVAZOBISJG-UHFFFAOYSA-N
XLogP5.17
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.64
LogP ≤ 55.17
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-(3,3-dimethylbutylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[8-(3,3-dimethylbutylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide (CID 53390014) is N-cyclopropyl-4-[8-(3,3-dimethylbutylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[8-(3,3-dimethylbutylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[8-(3,3-dimethylbutylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide is CC(C)(C)CCS(=O)(=O)c1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.
What is the InChIKey of N-cyclopropyl-4-[8-(3,3-dimethylbutylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is ONROPVAZOBISJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3S/c1-28(2,3)15-16-36(34,35)27-25-29-17-24(32(25)18-23(31-27)19-7-5-4-6-8-19)20-9-11-21(12-10-20)26(33)30-22-13-14-22/h4-12,17-18,22H,13-16H2,1-3H3,(H,30,33).
What are the key properties of N-cyclopropyl-4-[8-(3,3-dimethylbutylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
N-cyclopropyl-4-[8-(3,3-dimethylbutylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 502.64 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[8-(3,3-dimethylbutylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 53390014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).