N-cyclopropyl-4-[6-phenyl-8-[2-(4-sulfamoylphenyl)ethylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide

C30H28N6O3S — CID 57381228

IUPACN-cyclopropyl-4-[6-phenyl-8-[2-(4-sulfamoylphenyl)ethylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNc2nc(-c3ccccc3)cn3c(-c4ccc(C(=O)NC5CC5)cc4)cnc23)cc1
InChIInChI=1S/C30H28N6O3S/c31-40(38,39)25-14-6-20(7-15-25)16-17-32-28-29-33-18-27(36(29)19-26(35-28)21-4-2-1-3-5-21)22-8-10-23(11-9-22)30(37)34-24-12-13-24/h1-11,14-15,18-19,24H,12-13,16-17H2,(H,32,35)(H,34,37)(H2,31,38,39)
InChIKeyWSJWYUQPUIYDOD-UHFFFAOYSA-N
MW552.66 g/mol
LogP4.26
Rot. Bonds9

About N-cyclopropyl-4-[6-phenyl-8-[2-(4-sulfamoylphenyl)ethylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide

N-cyclopropyl-4-[6-phenyl-8-[2-(4-sulfamoylphenyl)ethylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 57381228) has the molecular formula C30H28N6O3S and a molecular weight of 552.66 g/mol. Its IUPAC name is N-cyclopropyl-4-[6-phenyl-8-[2-(4-sulfamoylphenyl)ethylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[6-phenyl-8-[2-(4-sulfamoylphenyl)ethylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID57381228
Molecular FormulaC30H28N6O3S
Molecular Weight552.66 g/mol
Exact Mass552.19
IUPAC NameN-cyclopropyl-4-[6-phenyl-8-[2-(4-sulfamoylphenyl)ethylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNc2nc(-c3ccccc3)cn3c(-c4ccc(C(=O)NC5CC5)cc4)cnc23)cc1
InChIInChI=1S/C30H28N6O3S/c31-40(38,39)25-14-6-20(7-15-25)16-17-32-28-29-33-18-27(36(29)19-26(35-28)21-4-2-1-3-5-21)22-8-10-23(11-9-22)30(37)34-24-12-13-24/h1-11,14-15,18-19,24H,12-13,16-17H2,(H,32,35)(H,34,37)(H2,31,38,39)
InChIKeyWSJWYUQPUIYDOD-UHFFFAOYSA-N
XLogP4.26
TPSA131.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.66
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-4-[6-phenyl-8-(2-sulfamoylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67990733
N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67973429
N-cyclopropyl-4-[6-phenyl-8-[[4-(trifluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381227
N-cyclopropyl-4-[6-phenyl-8-(2-pyrrolidin-1-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381452
4-[8-(2-aminopropylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 67973384
5-[[3-[4-(cyclopropylcarbamoyl)phenyl]-6-phenylimidazo[1,2-a]pyrazin-8-yl]amino]pent-2-ynylcarbamic acid
CID 67976568
4-[8-(2-aminoethylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 53389814
N-cyclopropyl-4-[8-(2-methoxybutylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 90256676
N-cyclopropyl-4-[8-(2-methylpropylsulfonyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 53389614
N-cyclopropyl-4-[8-[3-[(2R)-2,3-dihydroxypropoxy]propylamino]-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67973299
N-cyclopropyl-4-[6-[4-(fluoromethyl)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67976879
4-[6-[3-(anilinomethyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 123258800

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[6-phenyl-8-[2-(4-sulfamoylphenyl)ethylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[6-phenyl-8-[2-(4-sulfamoylphenyl)ethylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 57381228) is N-cyclopropyl-4-[6-phenyl-8-[2-(4-sulfamoylphenyl)ethylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[6-phenyl-8-[2-(4-sulfamoylphenyl)ethylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[6-phenyl-8-[2-(4-sulfamoylphenyl)ethylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide is NS(=O)(=O)c1ccc(CCNc2nc(-c3ccccc3)cn3c(-c4ccc(C(=O)NC5CC5)cc4)cnc23)cc1.
What is the InChIKey of N-cyclopropyl-4-[6-phenyl-8-[2-(4-sulfamoylphenyl)ethylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is WSJWYUQPUIYDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6O3S/c31-40(38,39)25-14-6-20(7-15-25)16-17-32-28-29-33-18-27(36(29)19-26(35-28)21-4-2-1-3-5-21)22-8-10-23(11-9-22)30(37)34-24-12-13-24/h1-11,14-15,18-19,24H,12-13,16-17H2,(H,32,35)(H,34,37)(H2,31,38,39).
What are the key properties of N-cyclopropyl-4-[6-phenyl-8-[2-(4-sulfamoylphenyl)ethylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide?
N-cyclopropyl-4-[6-phenyl-8-[2-(4-sulfamoylphenyl)ethylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 552.66 g/mol, XLogP of 4.26, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[6-phenyl-8-[2-(4-sulfamoylphenyl)ethylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 57381228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).