N-hydroxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-methyl-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;O-(oxan-2-yl)hydroxylamine

C75H78N18O10 — CID 159031154

IUPACN-hydroxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-methyl-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;O-(oxan-2-yl)hydroxylamine
SMILESCNC(=O)c1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1.NOC1CCCCO1.O=C(NO)c1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1.O=C(O)c1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1
InChIInChI=1S/C24H24N6O2.C23H22N6O3.C23H21N5O3.C5H11NO2/c1-25-24(31)18-4-2-3-17(15-18)21-16-30-10-9-26-23(30)22(28-21)27-19-5-7-20(8-6-19)29-11-13-32-14-12-29;30-23(27-31)17-3-1-2-16(14-17)20-15-29-9-8-24-22(29)21(26-20)25-18-4-6-19(7-5-18)28-10-12-32-13-11-28;29-23(30)17-3-1-2-16(14-17)20-15-28-9-8-24-22(28)21(26-20)25-18-4-6-19(7-5-18)27-10-12-31-13-11-27;6-8-5-3-1-2-4-7-5/h2-10,15-16H,11-14H2,1H3,(H,25,31)(H,27,28);1-9,14-15,31H,10-13H2,(H,25,26)(H,27,30);1-9,14-15H,10-13H2,(H,25,26)(H,29,30);5H,1-4,6H2
InChIKeyJUXBYXHPYWROJO-UHFFFAOYSA-N
MW1391.56 g/mol
LogP10.51
Rot. Bonds16

About N-hydroxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-methyl-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;O-(oxan-2-yl)hydroxylamine

N-hydroxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-methyl-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;O-(oxan-2-yl)hydroxylamine (PubChem CID 159031154) has the molecular formula C75H78N18O10 and a molecular weight of 1391.56 g/mol. Its IUPAC name is N-hydroxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-methyl-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;O-(oxan-2-yl)hydroxylamine.

Molecular Properties

Compound NameN-hydroxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-methyl-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;O-(oxan-2-yl)hydroxylamine
PubChem CID159031154
Molecular FormulaC75H78N18O10
Molecular Weight1391.56 g/mol
Exact Mass1390.61
IUPAC NameN-hydroxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-methyl-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;O-(oxan-2-yl)hydroxylamine
SMILESCNC(=O)c1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1.NOC1CCCCO1.O=C(NO)c1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1.O=C(O)c1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1
InChIInChI=1S/C24H24N6O2.C23H22N6O3.C23H21N5O3.C5H11NO2/c1-25-24(31)18-4-2-3-17(15-18)21-16-30-10-9-26-23(30)22(28-21)27-19-5-7-20(8-6-19)29-11-13-32-14-12-29;30-23(27-31)17-3-1-2-16(14-17)20-15-29-9-8-24-22(29)21(26-20)25-18-4-6-19(7-5-18)28-10-12-32-13-11-28;29-23(30)17-3-1-2-16(14-17)20-15-28-9-8-24-22(28)21(26-20)25-18-4-6-19(7-5-18)27-10-12-31-13-11-27;6-8-5-3-1-2-4-7-5/h2-10,15-16H,11-14H2,1H3,(H,25,31)(H,27,28);1-9,14-15,31H,10-13H2,(H,25,26)(H,27,30);1-9,14-15H,10-13H2,(H,25,26)(H,29,30);5H,1-4,6H2
InChIKeyJUXBYXHPYWROJO-UHFFFAOYSA-N
XLogP10.51
TPSA324.28 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds16
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001391.56
LogP ≤ 510.51
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-methyl-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;O-(oxan-2-yl)hydroxylamine with MolForge

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Related Compounds

bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide
CID 158473457
N-(2-aminophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzamide;benzene-1,2-diamine;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzoate;ethyl 4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzoate;N-hydroxy-4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzamide;4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]benzoic acid;4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]-N-(oxan-2-yloxy)benzamide
CID 158779810
sodium;methane;methanol;methyl 7-aminoheptanoate;methyl 7-[[3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]heptanoate;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;7-[[3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]heptanoic acid;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[7-(oxan-2-yloxyamino)-7-oxoheptyl]benzamide;oxane;2,2,2-trifluoroacetaldehyde;hydroxide;dihydrate;hydrochloride
CID 158971518
sodium;methane;methanol;methyl 7-aminoheptanoate;methyl 7-[[3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]heptanoate;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;7-[[3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]heptanoic acid;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[7-(oxan-2-yloxyamino)-7-oxoheptyl]benzamide;O-(oxan-2-yl)hydroxylamine;2,2,2-trifluoroacetaldehyde;hydroxide;hydrate;hydrochloride
CID 161546776
3-[8-(4-Morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzoic acid
CID 126472303
3-[8-(4-Morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid
CID 10273297
4-[[3-[8-(4-Morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]benzoic acid
CID 57856423
3-{8-[4-(Morpholine-4-carbonyl)-phenylamino]-imidazo[1,2-a]pyrazin-6-yl}-benzoic acid
CID 59754694
3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-N-[7-(oxan-2-yloxyamino)-7-oxoheptyl]benzamide
CID 153457483
[3-[6-[(Dimethylamino)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]methanol;1-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-3-[4-[6-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]urea;1-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-[4-[6-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]phenyl]urea;bis(sulfur dioxide)
CID 157137354
3-[8-[[6-(2-Methylpyrrolidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazin-6-yl]benzoic acid;[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;oxane
CID 157225947
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;6-methyl-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid
CID 157227516

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-methyl-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;O-(oxan-2-yl)hydroxylamine?
The IUPAC name of N-hydroxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-methyl-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;O-(oxan-2-yl)hydroxylamine (CID 159031154) is N-hydroxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-methyl-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;O-(oxan-2-yl)hydroxylamine.
What is the SMILES notation for N-hydroxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-methyl-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;O-(oxan-2-yl)hydroxylamine?
The canonical SMILES for N-hydroxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-methyl-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;O-(oxan-2-yl)hydroxylamine is CNC(=O)c1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1.NOC1CCCCO1.O=C(NO)c1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1.O=C(O)c1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1.
What is the InChIKey of N-hydroxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-methyl-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;O-(oxan-2-yl)hydroxylamine?
The InChIKey is JUXBYXHPYWROJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2.C23H22N6O3.C23H21N5O3.C5H11NO2/c1-25-24(31)18-4-2-3-17(15-18)21-16-30-10-9-26-23(30)22(28-21)27-19-5-7-20(8-6-19)29-11-13-32-14-12-29;30-23(27-31)17-3-1-2-16(14-17)20-15-29-9-8-24-22(29)21(26-20)25-18-4-6-19(7-5-18)28-10-12-32-13-11-28;29-23(30)17-3-1-2-16(14-17)20-15-28-9-8-24-22(28)21(26-20)25-18-4-6-19(7-5-18)27-10-12-31-13-11-27;6-8-5-3-1-2-4-7-5/h2-10,15-16H,11-14H2,1H3,(H,25,31)(H,27,28);1-9,14-15,31H,10-13H2,(H,25,26)(H,27,30);1-9,14-15H,10-13H2,(H,25,26)(H,29,30);5H,1-4,6H2.
What are the key properties of N-hydroxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-methyl-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;O-(oxan-2-yl)hydroxylamine?
N-hydroxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-methyl-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;O-(oxan-2-yl)hydroxylamine has a molecular weight of 1391.56 g/mol, XLogP of 10.51, 16 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;N-methyl-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;O-(oxan-2-yl)hydroxylamine is sourced from PubChem (CID 159031154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).