N-methoxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;O-methylhydroxylamine;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;hydrochloride

C48H51ClN12O7 — CID 157482147

IUPACN-methoxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;O-methylhydroxylamine;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;hydrochloride
SMILESCON.CONC(=O)c1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1.Cl.O=C(O)c1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1
InChIInChI=1S/C24H24N6O3.C23H21N5O3.CH5NO.ClH/c1-32-28-24(31)18-4-2-3-17(15-18)21-16-30-10-9-25-23(30)22(27-21)26-19-5-7-20(8-6-19)29-11-13-33-14-12-29;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;1-3-2;/h2-10,15-16H,11-14H2,1H3,(H,26,27)(H,28,31);1-9,14-15H,10-13H2,(H,25,26)(H,29,30);2H2,1H3;1H
InChIKeyFNLCHCMQCDUKJR-UHFFFAOYSA-N
MW943.47 g/mol
LogP6.87
Rot. Bonds11

About N-methoxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;O-methylhydroxylamine;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;hydrochloride

N-methoxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;O-methylhydroxylamine;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;hydrochloride (PubChem CID 157482147) has the molecular formula C48H51ClN12O7 and a molecular weight of 943.47 g/mol. Its IUPAC name is N-methoxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;O-methylhydroxylamine;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;hydrochloride.

Molecular Properties

Compound NameN-methoxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;O-methylhydroxylamine;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;hydrochloride
PubChem CID157482147
Molecular FormulaC48H51ClN12O7
Molecular Weight943.47 g/mol
Exact Mass942.37
IUPAC NameN-methoxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;O-methylhydroxylamine;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;hydrochloride
SMILESCON.CONC(=O)c1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1.Cl.O=C(O)c1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1
InChIInChI=1S/C24H24N6O3.C23H21N5O3.CH5NO.ClH/c1-32-28-24(31)18-4-2-3-17(15-18)21-16-30-10-9-25-23(30)22(27-21)26-19-5-7-20(8-6-19)29-11-13-33-14-12-29;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;1-3-2;/h2-10,15-16H,11-14H2,1H3,(H,26,27)(H,28,31);1-9,14-15H,10-13H2,(H,25,26)(H,29,30);2H2,1H3;1H
InChIKeyFNLCHCMQCDUKJR-UHFFFAOYSA-N
XLogP6.87
TPSA220.26 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500943.47
LogP ≤ 56.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

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Related Compounds

6-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-5-yl]pyridine-3-carboxylic acid
CID 117728019
2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]pyridine-4-carboxamide
CID 90463665
3-(8-Morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl)benzoic acid
CID 172434948
3-[[4-[2-(2-Amino-3-pyridyl)-5-phenyl-imidazo[4,5-b]pyridin-3-yl]phenyl]carbamoyl]-2-fluoro-benzoic acid
CID 176267988
3-((4-(2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)-2-fluorophenyl)carbamoyl)-2-fluorobenzoic acid
CID 176268020
2-Fluoro-4-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]benzoic acid
CID 24856848
2-(5-Fluoro-2-(hydroxymethyl)-3-(8-(5-(4-methylpiperazin-1-yl)pyridin-2-ylamino)imidazo[1,2-a]pyridin-6-yl)phenyl)-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1(2H)-one
CID 71553863
2-(5-Fluoro-2-(hydroxymethyl)-3-(8-(5-(4-(oxetan-3-yl)piperazine-1-yl)pyridine-2-ylamino)imidazo[1,2-a]pyridin-6-yl)phenyl)-3,4,6,7,8,9-hexahydro-pyrazino[1,2-a]indol-1(2H)-one
CID 71559182
4-[6-[(Z)-3-hydroxyprop-1-enyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid;4-[6-(3-hydroxypropyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid
CID 158464424
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
2-methyl-N-(1-methylcyclopropyl)-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide;2-methyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzoic acid
CID 158798118
4-[3-(4-carboxy-3-methylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid;N-ethyl-4-[3-[4-(ethylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide
CID 158886085

Frequently Asked Questions

What is the IUPAC name of N-methoxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;O-methylhydroxylamine;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;hydrochloride?
The IUPAC name of N-methoxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;O-methylhydroxylamine;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;hydrochloride (CID 157482147) is N-methoxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;O-methylhydroxylamine;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;hydrochloride.
What is the SMILES notation for N-methoxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;O-methylhydroxylamine;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;hydrochloride?
The canonical SMILES for N-methoxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;O-methylhydroxylamine;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;hydrochloride is CON.CONC(=O)c1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1.Cl.O=C(O)c1cccc(-c2cn3ccnc3c(Nc3ccc(N4CCOCC4)cc3)n2)c1.
What is the InChIKey of N-methoxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;O-methylhydroxylamine;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;hydrochloride?
The InChIKey is FNLCHCMQCDUKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3.C23H21N5O3.CH5NO.ClH/c1-32-28-24(31)18-4-2-3-17(15-18)21-16-30-10-9-25-23(30)22(27-21)26-19-5-7-20(8-6-19)29-11-13-33-14-12-29;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;1-3-2;/h2-10,15-16H,11-14H2,1H3,(H,26,27)(H,28,31);1-9,14-15H,10-13H2,(H,25,26)(H,29,30);2H2,1H3;1H.
What are the key properties of N-methoxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;O-methylhydroxylamine;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;hydrochloride?
N-methoxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;O-methylhydroxylamine;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;hydrochloride has a molecular weight of 943.47 g/mol, XLogP of 6.87, 11 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide;O-methylhydroxylamine;3-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid;hydrochloride is sourced from PubChem (CID 157482147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).