2-bromo-1-(4-chlorophenyl)ethanone;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-iodoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;8-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine;2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;3-chloropyrazin-2-amine

C109H112BrCl8IN28O8 — CID 162013073

IUPAC2-bromo-1-(4-chlorophenyl)ethanone;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-iodoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;8-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine;2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;3-chloropyrazin-2-amine
SMILESCC(C)(C)OC(=O)N1CCC[C@H](Nc2ncc(C#N)n3cc(-c4ccc(Cl)cc4)nc23)C1.CC(C)(C)OC(=O)N1CCC[C@H](Nc2ncc(I)n3cc(-c4ccc(Cl)cc4)nc23)C1.CC(C)(C)OC(=O)N1CCC[C@H](Nc2nccn3cc(-c4ccc(Cl)cc4)nc23)C1.Clc1ccc(-c2cn3ccnc(Cl)c3n2)cc1.NC(=O)c1cnc(N[C@H]2CCCNC2)c2nc(-c3ccc(Cl)cc3)cn12.Nc1nccnc1Cl.O=C(CBr)c1ccc(Cl)cc1
InChIInChI=1S/C23H25ClN6O2.C22H25ClIN5O2.C22H26ClN5O2.C18H19ClN6O.C12H7Cl2N3.C8H6BrClO.C4H4ClN3/c1-23(2,3)32-22(31)29-10-4-5-17(13-29)27-20-21-28-19(15-6-8-16(24)9-7-15)14-30(21)18(11-25)12-26-20;1-22(2,3)31-21(30)28-10-4-5-16(12-28)26-19-20-27-17(13-29(20)18(24)11-25-19)14-6-8-15(23)9-7-14;1-22(2,3)30-21(29)28-11-4-5-17(13-28)25-19-20-26-18(14-27(20)12-10-24-19)15-6-8-16(23)9-7-15;19-12-5-3-11(4-6-12)14-10-25-15(16(20)26)9-22-17(18(25)24-14)23-13-2-1-7-21-8-13;13-9-3-1-8(2-4-9)10-7-17-6-5-15-11(14)12(17)16-10;9-5-8(11)6-1-3-7(10)4-2-6;5-3-4(6)8-2-1-7-3/h6-9,12,14,17H,4-5,10,13H2,1-3H3,(H,26,27);6-9,11,13,16H,4-5,10,12H2,1-3H3,(H,25,26);6-10,12,14,17H,4-5,11,13H2,1-3H3,(H,24,25);3-6,9-10,13,21H,1-2,7-8H2,(H2,20,26)(H,22,23);1-7H;1-4H,5H2;1-2H,(H2,6,8)/t17-;16-;17-;13-;;;/m0000.../s1
InChIKeyYTSRQRVFNZFFNB-QDLJFDKLSA-N
MW2432.71 g/mol
LogP24.70
Rot. Bonds16

About 2-bromo-1-(4-chlorophenyl)ethanone;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-iodoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;8-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine;2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;3-chloropyrazin-2-amine

2-bromo-1-(4-chlorophenyl)ethanone;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-iodoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;8-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine;2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;3-chloropyrazin-2-amine (PubChem CID 162013073) has the molecular formula C109H112BrCl8IN28O8 and a molecular weight of 2432.71 g/mol. Its IUPAC name is 2-bromo-1-(4-chlorophenyl)ethanone;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-iodoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;8-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine;2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;3-chloropyrazin-2-amine.

Molecular Properties

Compound Name2-bromo-1-(4-chlorophenyl)ethanone;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-iodoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;8-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine;2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;3-chloropyrazin-2-amine
PubChem CID162013073
Molecular FormulaC109H112BrCl8IN28O8
Molecular Weight2432.71 g/mol
Exact Mass2426.50
IUPAC Name2-bromo-1-(4-chlorophenyl)ethanone;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-iodoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;8-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine;2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;3-chloropyrazin-2-amine
SMILESCC(C)(C)OC(=O)N1CCC[C@H](Nc2ncc(C#N)n3cc(-c4ccc(Cl)cc4)nc23)C1.CC(C)(C)OC(=O)N1CCC[C@H](Nc2ncc(I)n3cc(-c4ccc(Cl)cc4)nc23)C1.CC(C)(C)OC(=O)N1CCC[C@H](Nc2nccn3cc(-c4ccc(Cl)cc4)nc23)C1.Clc1ccc(-c2cn3ccnc(Cl)c3n2)cc1.NC(=O)c1cnc(N[C@H]2CCCNC2)c2nc(-c3ccc(Cl)cc3)cn12.Nc1nccnc1Cl.O=C(CBr)c1ccc(Cl)cc1
InChIInChI=1S/C23H25ClN6O2.C22H25ClIN5O2.C22H26ClN5O2.C18H19ClN6O.C12H7Cl2N3.C8H6BrClO.C4H4ClN3/c1-23(2,3)32-22(31)29-10-4-5-17(13-29)27-20-21-28-19(15-6-8-16(24)9-7-15)14-30(21)18(11-25)12-26-20;1-22(2,3)31-21(30)28-10-4-5-16(12-28)26-19-20-27-17(13-29(20)18(24)11-25-19)14-6-8-15(23)9-7-14;1-22(2,3)30-21(29)28-11-4-5-17(13-28)25-19-20-26-18(14-27(20)12-10-24-19)15-6-8-16(23)9-7-15;19-12-5-3-11(4-6-12)14-10-25-15(16(20)26)9-22-17(18(25)24-14)23-13-2-1-7-21-8-13;13-9-3-1-8(2-4-9)10-7-17-6-5-15-11(14)12(17)16-10;9-5-8(11)6-1-3-7(10)4-2-6;5-3-4(6)8-2-1-7-3/h6-9,12,14,17H,4-5,10,13H2,1-3H3,(H,26,27);6-9,11,13,16H,4-5,10,12H2,1-3H3,(H,25,26);6-10,12,14,17H,4-5,11,13H2,1-3H3,(H,24,25);3-6,9-10,13,21H,1-2,7-8H2,(H2,20,26)(H,22,23);1-7H;1-4H,5H2;1-2H,(H2,6,8)/t17-;16-;17-;13-;;;/m0000.../s1
InChIKeyYTSRQRVFNZFFNB-QDLJFDKLSA-N
XLogP24.70
TPSA435.47 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds16
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002432.71
LogP ≤ 524.70
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-bromo-1-(4-chlorophenyl)ethanone;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-iodoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;8-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine;2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;3-chloropyrazin-2-amine with MolForge

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Related Compounds

[4-[[3-bromo-6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;5-bromo-6-(2-chlorophenyl)-3-iodo-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;3-bromo-N-cyclohexyl-6-phenylimidazo[1,2-a]pyrazin-8-amine;3-chloro-6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;6-(2-chlorophenyl)-3-iodo-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine;ethyl 4-[[3-bromo-6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;3-iodo-6-phenyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 157429537
3-bromo-2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;tert-butyl (3S)-3-[[3-bromo-2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate
CID 157163883
dipotassium;acetic acid;2-(2-acetylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanone;6-(2-aminoethylamino)pyridine-3-carbonitrile;azane;2-bromo-1-(2,4-dichlorophenyl)ethanone;8-chloro-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazine;6-(2,4-dichlorophenyl)-7H-imidazo[1,2-a]pyrazin-8-one;6-[3-[[6-(2,4-dichlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]propyl]pyridine-3-carbonitrile;hydride;1-(1H-imidazol-2-yl)ethanone;methane;oxido formate;phosphoryl trichloride
CID 157434656
2-bromo-1-(4-fluorophenyl)ethanone;tert-butyl 2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;tert-butyl 2-(4-fluorophenyl)-3-iodo-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate;2-(4-fluorophenyl)imidazo[1,2-a]pyrazine;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;pyrazin-2-amine
CID 158157294
N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylmethanesulfonamide;tert-butyl 4-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridine-3-carbonyl]piperazine-1-carboxylate;4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-2-one;N-[2-(4-chlorophenyl)-3-[(3-oxopiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide;[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-piperazin-1-ylmethanone
CID 158706625
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2R)-2-methylpiperazin-1-yl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]acetamide
CID 158896420
bis(3-bromo-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide);bis(3-chloro-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide);bis(3-[(4-chlorophenyl)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide);bis(3-fluoro-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide)
CID 159853262
7-amino-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;tert-butyl 7-(benzylamino)-4-chloro-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 7-(benzylamino)-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 7-bromo-4-chloro-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;phenylmethanamine
CID 160144847
5-[4-[[2-(4-Chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]pyrazine-2-carbonitrile;2-[2-(4-chlorophenyl)-3-[(4-propanoylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[[4-(pyrazine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile
CID 160650263
2-bromo-1-(3-bromophenyl)ethanone;2-(3-bromophenyl)-8-chloroimidazo[1,2-a]pyrazine;tert-butyl (3S)-3-[[2-(3-bromophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[5-iodo-2-(3-pyridin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(3-pyridin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;3-chloropyrazin-2-amine
CID 160793614
4-[4-[[2-(4-Chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]benzonitrile;2-[2-(4-chlorophenyl)-3-[(4-propanoylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[[4-(pyrazine-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;2-[2-(4-chlorophenyl)-3-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile
CID 160917453
2-(4-chlorophenyl)-N,N-diethyl-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-5-carboxamide;4-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzamide;2-(4-chlorophenyl)-6-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine;N,N-diethyl-3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridine-2-carboxamide;3-[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]benzonitrile
CID 161660528

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-chlorophenyl)ethanone;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-iodoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;8-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine;2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;3-chloropyrazin-2-amine?
The IUPAC name of 2-bromo-1-(4-chlorophenyl)ethanone;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-iodoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;8-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine;2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;3-chloropyrazin-2-amine (CID 162013073) is 2-bromo-1-(4-chlorophenyl)ethanone;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-iodoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;8-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine;2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;3-chloropyrazin-2-amine.
What is the SMILES notation for 2-bromo-1-(4-chlorophenyl)ethanone;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-iodoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;8-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine;2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;3-chloropyrazin-2-amine?
The canonical SMILES for 2-bromo-1-(4-chlorophenyl)ethanone;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-iodoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;8-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine;2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;3-chloropyrazin-2-amine is CC(C)(C)OC(=O)N1CCC[C@H](Nc2ncc(C#N)n3cc(-c4ccc(Cl)cc4)nc23)C1.CC(C)(C)OC(=O)N1CCC[C@H](Nc2ncc(I)n3cc(-c4ccc(Cl)cc4)nc23)C1.CC(C)(C)OC(=O)N1CCC[C@H](Nc2nccn3cc(-c4ccc(Cl)cc4)nc23)C1.Clc1ccc(-c2cn3ccnc(Cl)c3n2)cc1.NC(=O)c1cnc(N[C@H]2CCCNC2)c2nc(-c3ccc(Cl)cc3)cn12.Nc1nccnc1Cl.O=C(CBr)c1ccc(Cl)cc1.
What is the InChIKey of 2-bromo-1-(4-chlorophenyl)ethanone;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-iodoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;8-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine;2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;3-chloropyrazin-2-amine?
The InChIKey is YTSRQRVFNZFFNB-QDLJFDKLSA-N. The full InChI is InChI=1S/C23H25ClN6O2.C22H25ClIN5O2.C22H26ClN5O2.C18H19ClN6O.C12H7Cl2N3.C8H6BrClO.C4H4ClN3/c1-23(2,3)32-22(31)29-10-4-5-17(13-29)27-20-21-28-19(15-6-8-16(24)9-7-15)14-30(21)18(11-25)12-26-20;1-22(2,3)31-21(30)28-10-4-5-16(12-28)26-19-20-27-17(13-29(20)18(24)11-25-19)14-6-8-15(23)9-7-14;1-22(2,3)30-21(29)28-11-4-5-17(13-28)25-19-20-26-18(14-27(20)12-10-24-19)15-6-8-16(23)9-7-15;19-12-5-3-11(4-6-12)14-10-25-15(16(20)26)9-22-17(18(25)24-14)23-13-2-1-7-21-8-13;13-9-3-1-8(2-4-9)10-7-17-6-5-15-11(14)12(17)16-10;9-5-8(11)6-1-3-7(10)4-2-6;5-3-4(6)8-2-1-7-3/h6-9,12,14,17H,4-5,10,13H2,1-3H3,(H,26,27);6-9,11,13,16H,4-5,10,12H2,1-3H3,(H,25,26);6-10,12,14,17H,4-5,11,13H2,1-3H3,(H,24,25);3-6,9-10,13,21H,1-2,7-8H2,(H2,20,26)(H,22,23);1-7H;1-4H,5H2;1-2H,(H2,6,8)/t17-;16-;17-;13-;;;/m0000.../s1.
What are the key properties of 2-bromo-1-(4-chlorophenyl)ethanone;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-iodoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;8-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine;2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;3-chloropyrazin-2-amine?
2-bromo-1-(4-chlorophenyl)ethanone;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-iodoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;8-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine;2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;3-chloropyrazin-2-amine has a molecular weight of 2432.71 g/mol, XLogP of 24.70, 16 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-chlorophenyl)ethanone;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-iodoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;8-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyrazine;2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;3-chloropyrazin-2-amine is sourced from PubChem (CID 162013073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).