4-[6-bromo-8-(cyclohexylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide

C23H26BrN5O — CID 88544470

IUPAC4-[6-bromo-8-(cyclohexylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(NCC4CCCCC4)nc(Br)cn23)cc1
InChIInChI=1S/C23H26BrN5O/c24-20-14-29-19(16-6-8-17(9-7-16)23(30)27-18-10-11-18)13-26-22(29)21(28-20)25-12-15-4-2-1-3-5-15/h6-9,13-15,18H,1-5,10-12H2,(H,25,28)(H,27,30)
InChIKeyUGAROILMPBXDMX-UHFFFAOYSA-N
MW468.40 g/mol
LogP5.04
Rot. Bonds6

About 4-[6-bromo-8-(cyclohexylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide

4-[6-bromo-8-(cyclohexylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide (PubChem CID 88544470) has the molecular formula C23H26BrN5O and a molecular weight of 468.40 g/mol. Its IUPAC name is 4-[6-bromo-8-(cyclohexylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[6-bromo-8-(cyclohexylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
PubChem CID88544470
Molecular FormulaC23H26BrN5O
Molecular Weight468.40 g/mol
Exact Mass467.13
IUPAC Name4-[6-bromo-8-(cyclohexylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(NCC4CCCCC4)nc(Br)cn23)cc1
InChIInChI=1S/C23H26BrN5O/c24-20-14-29-19(16-6-8-17(9-7-16)23(30)27-18-10-11-18)13-26-22(29)21(28-20)25-12-15-4-2-1-3-5-15/h6-9,13-15,18H,1-5,10-12H2,(H,25,28)(H,27,30)
InChIKeyUGAROILMPBXDMX-UHFFFAOYSA-N
XLogP5.04
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.40
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-(6,8-dibromoimidazo[1,2-a]pyrazin-3-yl)benzamide
CID 86692018
4-[6-[cyclohexylmethyl(methyl)amino]-8-(oxan-4-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 66615244
4-(6-bromo-8-methylimidazo[1,2-a]pyrazin-3-yl)-N-cyclopropylbenzamide
CID 88537857
N-cyclopropyl-4-[8-(oxolan-2-ylmethylamino)-6-pyridin-4-ylimidazo[1,2-a]pyrazin-3-yl]benzamide
CID 90123620
N-cyclopropyl-4-[6-phenyl-8-(2-pyrrolidin-1-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381452
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-(4-ethenylphenyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57407262
4-[8-(2-aminopropylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
CID 67973384
N-cyclopropyl-4-[6-(3-hydroxypropyl)-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 90123415
N-cyclopropyl-4-[6-[4-(fluoromethyl)phenyl]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 67976879
N-cyclopropyl-4-[8-(propylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 118732116

Frequently Asked Questions

What is the IUPAC name of 4-[6-bromo-8-(cyclohexylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[6-bromo-8-(cyclohexylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide (CID 88544470) is 4-[6-bromo-8-(cyclohexylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[6-bromo-8-(cyclohexylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[6-bromo-8-(cyclohexylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide is O=C(NC1CC1)c1ccc(-c2cnc3c(NCC4CCCCC4)nc(Br)cn23)cc1.
What is the InChIKey of 4-[6-bromo-8-(cyclohexylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?
The InChIKey is UGAROILMPBXDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrN5O/c24-20-14-29-19(16-6-8-17(9-7-16)23(30)27-18-10-11-18)13-26-22(29)21(28-20)25-12-15-4-2-1-3-5-15/h6-9,13-15,18H,1-5,10-12H2,(H,25,28)(H,27,30).
What are the key properties of 4-[6-bromo-8-(cyclohexylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?
4-[6-bromo-8-(cyclohexylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide has a molecular weight of 468.40 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-bromo-8-(cyclohexylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide is sourced from PubChem (CID 88544470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).