[5-chloro-6-[2-methyl-4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;5-chloro-4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;[5-chloro-6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;3-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;bis([6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone);3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid;6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-7H-purine

C151H162Cl3F6N69O10 — CID 159059660

IUPAC[5-chloro-6-[2-methyl-4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;5-chloro-4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;[5-chloro-6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;3-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;bis([6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone);3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid;6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-7H-purine
SMILESCC1CN(c2ncnc3nc[nH]c23)CCN1c1ncc(C(=O)N2CCCC2)cc1Cl.FC(F)(F)c1cccnc1N1CCN(c2ncnc3nc[nH]c23)CC1.O=C(O)C(F)(F)F.O=C(c1ccc(N2CCN(c3ncnc4nc[nH]c34)CC2)nc1)N1CCCC1.O=C(c1ccc(N2CCN(c3ncnc4nc[nH]c34)CC2)nc1)N1CCCC1.O=C(c1cnc(N2CCN(c3ncnc4nc[nH]c34)CC2)c(Cl)c1)N1CCCC1.O=c1[nH]c2ccccc2n1C1CCN(c2ncnc3[nH]ccc23)CC1.O=c1[nH]ncc(N2CCN(c3ncnc4nc[nH]c34)CC2)c1Cl.O=c1cc(N2CCN(c3ncnc4nc[nH]c34)CC2)cn[nH]1.O=c1ccc(N2CCN(c3ncnc4nc[nH]c34)CC2)n[nH]1
InChIInChI=1S/C20H23ClN8O.C19H21ClN8O.2C19H22N8O.C18H18N6O.C15H14F3N7.C13H13ClN8O.2C13H14N8O.C2HF3O2/c1-13-10-28(19-16-17(24-11-23-16)25-12-26-19)6-7-29(13)18-15(21)8-14(9-22-18)20(30)27-4-2-3-5-27;20-14-9-13(19(29)28-3-1-2-4-28)10-21-17(14)26-5-7-27(8-6-26)18-15-16(23-11-22-15)24-12-25-18;2*28-19(27-5-1-2-6-27)14-3-4-15(20-11-14)25-7-9-26(10-8-25)18-16-17(22-12-21-16)23-13-24-18;25-18-22-14-3-1-2-4-15(14)24(18)12-6-9-23(10-7-12)17-13-5-8-19-16(13)20-11-21-17;16-15(17,18)10-2-1-3-19-13(10)24-4-6-25(7-5-24)14-11-12(21-8-20-11)22-9-23-14;14-9-8(5-19-20-13(9)23)21-1-3-22(4-2-21)12-10-11(16-6-15-10)17-7-18-12;22-10-5-9(6-18-19-10)20-1-3-21(4-2-20)13-11-12(15-7-14-11)16-8-17-13;22-10-2-1-9(18-19-10)20-3-5-21(6-4-20)13-11-12(15-7-14-11)16-8-17-13;3-2(4,5)1(6)7/h8-9,11-13H,2-7,10H2,1H3,(H,23,24,25,26);9-12H,1-8H2,(H,22,23,24,25);2*3-4,11-13H,1-2,5-10H2,(H,21,22,23,24);1-5,8,11-12H,6-7,9-10H2,(H,22,25)(H,19,20,21);1-3,8-9H,4-7H2,(H,20,21,22,23);5-7H,1-4H2,(H,20,23)(H,15,16,17,18);5-8H,1-4H2,(H,19,22)(H,14,15,16,17);1-2,7-8H,3-6H2,(H,19,22)(H,14,15,16,17);(H,6,7)
InChIKeyDPDSDUXIBUHGJV-UHFFFAOYSA-N
MW3323.78 g/mol
LogP12.05
Rot. Bonds22

About [5-chloro-6-[2-methyl-4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;5-chloro-4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;[5-chloro-6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;3-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;bis([6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone);3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid;6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-7H-purine

[5-chloro-6-[2-methyl-4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;5-chloro-4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;[5-chloro-6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;3-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;bis([6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone);3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid;6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-7H-purine (PubChem CID 159059660) has the molecular formula C151H162Cl3F6N69O10 and a molecular weight of 3323.78 g/mol. Its IUPAC name is [5-chloro-6-[2-methyl-4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;5-chloro-4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;[5-chloro-6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;3-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;bis([6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone);3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid;6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-7H-purine.

Molecular Properties

Compound Name[5-chloro-6-[2-methyl-4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;5-chloro-4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;[5-chloro-6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;3-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;bis([6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone);3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid;6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-7H-purine
PubChem CID159059660
Molecular FormulaC151H162Cl3F6N69O10
Molecular Weight3323.78 g/mol
Exact Mass3320.33
IUPAC Name[5-chloro-6-[2-methyl-4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;5-chloro-4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;[5-chloro-6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;3-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;bis([6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone);3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid;6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-7H-purine
SMILESCC1CN(c2ncnc3nc[nH]c23)CCN1c1ncc(C(=O)N2CCCC2)cc1Cl.FC(F)(F)c1cccnc1N1CCN(c2ncnc3nc[nH]c23)CC1.O=C(O)C(F)(F)F.O=C(c1ccc(N2CCN(c3ncnc4nc[nH]c34)CC2)nc1)N1CCCC1.O=C(c1ccc(N2CCN(c3ncnc4nc[nH]c34)CC2)nc1)N1CCCC1.O=C(c1cnc(N2CCN(c3ncnc4nc[nH]c34)CC2)c(Cl)c1)N1CCCC1.O=c1[nH]c2ccccc2n1C1CCN(c2ncnc3[nH]ccc23)CC1.O=c1[nH]ncc(N2CCN(c3ncnc4nc[nH]c34)CC2)c1Cl.O=c1cc(N2CCN(c3ncnc4nc[nH]c34)CC2)cn[nH]1.O=c1ccc(N2CCN(c3ncnc4nc[nH]c34)CC2)n[nH]1
InChIInChI=1S/C20H23ClN8O.C19H21ClN8O.2C19H22N8O.C18H18N6O.C15H14F3N7.C13H13ClN8O.2C13H14N8O.C2HF3O2/c1-13-10-28(19-16-17(24-11-23-16)25-12-26-19)6-7-29(13)18-15(21)8-14(9-22-18)20(30)27-4-2-3-5-27;20-14-9-13(19(29)28-3-1-2-4-28)10-21-17(14)26-5-7-27(8-6-26)18-15-16(23-11-22-15)24-12-25-18;2*28-19(27-5-1-2-6-27)14-3-4-15(20-11-14)25-7-9-26(10-8-25)18-16-17(22-12-21-16)23-13-24-18;25-18-22-14-3-1-2-4-15(14)24(18)12-6-9-23(10-7-12)17-13-5-8-19-16(13)20-11-21-17;16-15(17,18)10-2-1-3-19-13(10)24-4-6-25(7-5-24)14-11-12(21-8-20-11)22-9-23-14;14-9-8(5-19-20-13(9)23)21-1-3-22(4-2-21)12-10-11(16-6-15-10)17-7-18-12;22-10-5-9(6-18-19-10)20-1-3-21(4-2-20)13-11-12(15-7-14-11)16-8-17-13;22-10-2-1-9(18-19-10)20-3-5-21(6-4-20)13-11-12(15-7-14-11)16-8-17-13;3-2(4,5)1(6)7/h8-9,11-13H,2-7,10H2,1H3,(H,23,24,25,26);9-12H,1-8H2,(H,22,23,24,25);2*3-4,11-13H,1-2,5-10H2,(H,21,22,23,24);1-5,8,11-12H,6-7,9-10H2,(H,22,25)(H,19,20,21);1-3,8-9H,4-7H2,(H,20,21,22,23);5-7H,1-4H2,(H,20,23)(H,15,16,17,18);5-8H,1-4H2,(H,19,22)(H,14,15,16,17);1-2,7-8H,3-6H2,(H,19,22)(H,14,15,16,17);(H,6,7)
InChIKeyDPDSDUXIBUHGJV-UHFFFAOYSA-N
XLogP12.05
TPSA890.36 Ų
H-Bond Donors14
H-Bond Acceptors61
Rotatable Bonds22
Heavy Atoms239
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003323.78
LogP ≤ 512.05
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1061

Analyze [5-chloro-6-[2-methyl-4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;5-chloro-4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;[5-chloro-6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;3-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;bis([6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone);3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid;6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-7H-purine with MolForge

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Related Compounds

2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-ethyl-6-[(2R)-2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-6-[(2R)-2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-propyl-6-[(2R)-2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide
CID 157141055
2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-cyclopropyl-6-[(2R)-2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-propan-2-ylpyrrolidine-2-carboxamide;1-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide;(2S)-1-[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 157571317
4-(5-chloro-2-pyridinyl)-N-ethyl-5-oxo-3,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene-10-carboxamide;5-oxo-N,4-diphenyl-3,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene-10-carboxamide;5-oxo-4-phenyl-N-(2,2,2-trifluoroethyl)-3,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraene-10-carboxamide;4-phenyl-10-(4-propan-2-ylpiperazine-1-carbonyl)-3,4,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-5-one
CID 157921080
tert-butyl 4-(3-but-2-ynyl-4-chloroimidazo[4,5-c]pyridin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(3-but-2-ynyl-5-methyl-4-oxoimidazo[4,5-d]pyridazin-2-yl)piperidine-1-carboxylate;tert-butyl 4-(5-methyl-4-oxo-1H-imidazo[4,5-d]pyridazin-2-yl)piperidine-1-carboxylate;3-but-2-ynyl-4-chloroimidazo[4,5-c]pyridine;3-but-2-ynyl-2,4-dichloroimidazo[4,5-c]pyridine;3-but-2-ynyl-5-methyl-2-piperidin-4-ylimidazo[4,5-d]pyridazin-4-one;bis(2,2,2-trifluoroacetic acid)
CID 158068610
6-chloro-N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;6-chloro-N-[5-[1-(cyclopropylmethyl)-3-ethyl-2,6-dioxo-7H-purin-8-yl]-2-pyridinyl]-N-methylpyridine-3-carboxamide;6-chloro-N-[5-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-methylpyridine-3-carboxamide;N-[5-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-2-pyridinyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 158247162
2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-cyclopropyl-6-[(2R)-2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-propan-2-ylpyrrolidine-2-carboxamide;2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-propyl-6-[(2R)-2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;(2S)-1-[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;molecular hydrogen
CID 158360343
[5-chloro-6-[2-methyl-4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;[5-chloro-6-[3-methyl-4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;5-chloro-4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;[5-chloro-6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;3-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;bis([6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone);3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid;6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-7H-purine
CID 158629411
2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-ethyl-6-[(2R)-2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-6-[(2R)-2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;(2S)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)quinazolin-4-yl]amino]-4-cyano-N-(2,2,2-trifluoroethyl)butanamide;molecular hydrogen
CID 159203371
2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-cyclopropyl-6-[(2R)-2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-ethyl-6-[(2R)-2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-propan-2-ylpyrrolidine-2-carboxamide;2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-propyl-6-[(2R)-2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]pyrimidine-4-carboxamide;molecular hydrogen
CID 159861859
1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-[(2R)-2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]pyrimidine-5-carboxylic acid;molecular hydrogen
CID 159870633
tert-butyl 4-(3-but-2-ynyl-4-chloroimidazo[4,5-c]pyridin-2-yl)piperazine-1-carboxylate;tert-butyl 4-(3-but-2-ynyl-5-methyl-4-oxoimidazo[4,5-d]pyridazin-2-yl)piperidine-1-carboxylate;tert-butyl 4-(5-methyl-4-oxo-1H-imidazo[4,5-d]pyridazin-2-yl)piperidine-1-carboxylate;3-but-2-ynyl-4-chloroimidazo[4,5-c]pyridine;3-but-2-ynyl-2,4-dichloroimidazo[4,5-c]pyridine;3-but-2-ynyl-5-methyl-2-piperidin-4-ylimidazo[4,5-d]pyridazin-4-one;5-methyl-2-piperidin-4-yl-1H-imidazo[4,5-d]pyridazin-4-one;bis(2,2,2-trifluoroacetic acid)
CID 160485153
tert-butyl 4-(3-but-2-ynyl-5-methyl-4-oxoimidazo[4,5-d]pyridazin-2-yl)piperidine-1-carboxylate;tert-butyl 4-(5-methyl-4-oxo-1H-imidazo[4,5-d]pyridazin-2-yl)piperidine-1-carboxylate;3-but-2-ynyl-4-chloroimidazo[4,5-c]pyridine;3-but-2-ynyl-4-chloro-2-piperidin-1-ylimidazo[4,5-c]pyridine;3-but-2-ynyl-2-cyclohexyl-5-methylimidazo[4,5-d]pyridazin-4-one;3-but-2-ynyl-2,4-dichloroimidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
CID 161508901

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[2-methyl-4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;5-chloro-4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;[5-chloro-6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;3-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;bis([6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone);3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid;6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-7H-purine?
The IUPAC name of [5-chloro-6-[2-methyl-4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;5-chloro-4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;[5-chloro-6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;3-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;bis([6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone);3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid;6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-7H-purine (CID 159059660) is [5-chloro-6-[2-methyl-4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;5-chloro-4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;[5-chloro-6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;3-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;bis([6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone);3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid;6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-7H-purine.
What is the SMILES notation for [5-chloro-6-[2-methyl-4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;5-chloro-4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;[5-chloro-6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;3-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;bis([6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone);3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid;6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-7H-purine?
The canonical SMILES for [5-chloro-6-[2-methyl-4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;5-chloro-4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;[5-chloro-6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;3-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;bis([6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone);3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid;6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-7H-purine is CC1CN(c2ncnc3nc[nH]c23)CCN1c1ncc(C(=O)N2CCCC2)cc1Cl.FC(F)(F)c1cccnc1N1CCN(c2ncnc3nc[nH]c23)CC1.O=C(O)C(F)(F)F.O=C(c1ccc(N2CCN(c3ncnc4nc[nH]c34)CC2)nc1)N1CCCC1.O=C(c1ccc(N2CCN(c3ncnc4nc[nH]c34)CC2)nc1)N1CCCC1.O=C(c1cnc(N2CCN(c3ncnc4nc[nH]c34)CC2)c(Cl)c1)N1CCCC1.O=c1[nH]c2ccccc2n1C1CCN(c2ncnc3[nH]ccc23)CC1.O=c1[nH]ncc(N2CCN(c3ncnc4nc[nH]c34)CC2)c1Cl.O=c1cc(N2CCN(c3ncnc4nc[nH]c34)CC2)cn[nH]1.O=c1ccc(N2CCN(c3ncnc4nc[nH]c34)CC2)n[nH]1.
What is the InChIKey of [5-chloro-6-[2-methyl-4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;5-chloro-4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;[5-chloro-6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;3-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;bis([6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone);3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid;6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-7H-purine?
The InChIKey is DPDSDUXIBUHGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN8O.C19H21ClN8O.2C19H22N8O.C18H18N6O.C15H14F3N7.C13H13ClN8O.2C13H14N8O.C2HF3O2/c1-13-10-28(19-16-17(24-11-23-16)25-12-26-19)6-7-29(13)18-15(21)8-14(9-22-18)20(30)27-4-2-3-5-27;20-14-9-13(19(29)28-3-1-2-4-28)10-21-17(14)26-5-7-27(8-6-26)18-15-16(23-11-22-15)24-12-25-18;2*28-19(27-5-1-2-6-27)14-3-4-15(20-11-14)25-7-9-26(10-8-25)18-16-17(22-12-21-16)23-13-24-18;25-18-22-14-3-1-2-4-15(14)24(18)12-6-9-23(10-7-12)17-13-5-8-19-16(13)20-11-21-17;16-15(17,18)10-2-1-3-19-13(10)24-4-6-25(7-5-24)14-11-12(21-8-20-11)22-9-23-14;14-9-8(5-19-20-13(9)23)21-1-3-22(4-2-21)12-10-11(16-6-15-10)17-7-18-12;22-10-5-9(6-18-19-10)20-1-3-21(4-2-20)13-11-12(15-7-14-11)16-8-17-13;22-10-2-1-9(18-19-10)20-3-5-21(6-4-20)13-11-12(15-7-14-11)16-8-17-13;3-2(4,5)1(6)7/h8-9,11-13H,2-7,10H2,1H3,(H,23,24,25,26);9-12H,1-8H2,(H,22,23,24,25);2*3-4,11-13H,1-2,5-10H2,(H,21,22,23,24);1-5,8,11-12H,6-7,9-10H2,(H,22,25)(H,19,20,21);1-3,8-9H,4-7H2,(H,20,21,22,23);5-7H,1-4H2,(H,20,23)(H,15,16,17,18);5-8H,1-4H2,(H,19,22)(H,14,15,16,17);1-2,7-8H,3-6H2,(H,19,22)(H,14,15,16,17);(H,6,7).
What are the key properties of [5-chloro-6-[2-methyl-4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;5-chloro-4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;[5-chloro-6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;3-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;bis([6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone);3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid;6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-7H-purine?
[5-chloro-6-[2-methyl-4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;5-chloro-4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;[5-chloro-6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;3-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;bis([6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone);3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid;6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-7H-purine has a molecular weight of 3323.78 g/mol, XLogP of 12.05, 22 rotatable bonds, 14 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[2-methyl-4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;5-chloro-4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;[5-chloro-6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone;3-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;4-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one;bis([6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone);3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid;6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-7H-purine is sourced from PubChem (CID 159059660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).