4-(8-butylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)-N-cyclopropylbenzamide

C26H26N4O3S — CID 53389976

IUPAC4-(8-butylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)-N-cyclopropylbenzamide
SMILESCCCCS(=O)(=O)c1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C26H26N4O3S/c1-2-3-15-34(32,33)26-24-27-16-23(30(24)17-22(29-26)18-7-5-4-6-8-18)19-9-11-20(12-10-19)25(31)28-21-13-14-21/h4-12,16-17,21H,2-3,13-15H2,1H3,(H,28,31)
InChIKeyCPBCEJZCAZPZPM-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.53
Rot. Bonds8

About 4-(8-butylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)-N-cyclopropylbenzamide

4-(8-butylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)-N-cyclopropylbenzamide (PubChem CID 53389976) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is 4-(8-butylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-(8-butylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)-N-cyclopropylbenzamide
PubChem CID53389976
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC Name4-(8-butylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)-N-cyclopropylbenzamide
SMILESCCCCS(=O)(=O)c1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C26H26N4O3S/c1-2-3-15-34(32,33)26-24-27-16-23(30(24)17-22(29-26)18-7-5-4-6-8-18)19-9-11-20(12-10-19)25(31)28-21-13-14-21/h4-12,16-17,21H,2-3,13-15H2,1H3,(H,28,31)
InChIKeyCPBCEJZCAZPZPM-UHFFFAOYSA-N
XLogP4.53
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(8-butylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)-N-cyclopropylbenzamide?
The IUPAC name of 4-(8-butylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)-N-cyclopropylbenzamide (CID 53389976) is 4-(8-butylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)-N-cyclopropylbenzamide.
What is the SMILES notation for 4-(8-butylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)-N-cyclopropylbenzamide?
The canonical SMILES for 4-(8-butylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)-N-cyclopropylbenzamide is CCCCS(=O)(=O)c1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.
What is the InChIKey of 4-(8-butylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)-N-cyclopropylbenzamide?
The InChIKey is CPBCEJZCAZPZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-2-3-15-34(32,33)26-24-27-16-23(30(24)17-22(29-26)18-7-5-4-6-8-18)19-9-11-20(12-10-19)25(31)28-21-13-14-21/h4-12,16-17,21H,2-3,13-15H2,1H3,(H,28,31).
What are the key properties of 4-(8-butylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)-N-cyclopropylbenzamide?
4-(8-butylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)-N-cyclopropylbenzamide has a molecular weight of 474.59 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-butylsulfonyl-6-phenylimidazo[1,2-a]pyrazin-3-yl)-N-cyclopropylbenzamide is sourced from PubChem (CID 53389976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).