(5Z)-2-amino-7-(1,3-benzothiazol-6-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-7-(1,3-benzoxazol-2-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-5-[(2-butyl-1H-imidazol-5-yl)methylidene]-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(5-methylpyrazin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-(oxan-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-6-one

C107H94Cl7N43O9S — CID 161313146

IUPAC(5Z)-2-amino-7-(1,3-benzothiazol-6-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-7-(1,3-benzoxazol-2-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-5-[(2-butyl-1H-imidazol-5-yl)methylidene]-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(5-methylpyrazin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-(oxan-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-6-one
SMILESCCCCc1ncc(/C=C2\C(=O)N(Cc3ncc(C)c(OC)c3C)c3nc(N)nc(Cl)c32)[nH]1.CCn1cc(Cl)c(CN2C(=O)/C(=C\c3ncc[nH]3)c3c(Cl)nc(N)nc32)n1.Cc1cnc(CN2C(=O)/C(=C\c3ncc[nH]3)c3c(Cl)nc(N)nc32)cn1.Nc1nc(Cl)c2c(n1)N(CC1CCOCC1)C(=O)/C2=C\c1ncc[nH]1.Nc1nc(Cl)c2c(n1)N(Cc1ccc3ncsc3c1)C(=O)/C2=C\c1ncc[nH]1.Nc1nc(Cl)c2c(n1)N(Cc1nc3ccccc3o1)C(=O)/C2=C\c1ncc[nH]1
InChIInChI=1S/C23H26ClN7O2.C18H12ClN7O2.C18H12ClN7OS.C16H14Cl2N8O.C16H13ClN8O.C16H17ClN6O2/c1-5-6-7-17-27-10-14(28-17)8-15-18-20(24)29-23(25)30-21(18)31(22(15)32)11-16-13(3)19(33-4)12(2)9-26-16;19-15-14-9(7-12-21-5-6-22-12)17(27)26(16(14)25-18(20)24-15)8-13-23-10-3-1-2-4-11(10)28-13;19-15-14-10(6-13-21-3-4-22-13)17(27)26(16(14)25-18(20)24-15)7-9-1-2-11-12(5-9)28-8-23-11;1-2-25-6-9(17)10(24-25)7-26-14-12(13(18)22-16(19)23-14)8(15(26)27)5-11-20-3-4-21-11;1-8-5-22-9(6-21-8)7-25-14-12(13(17)23-16(18)24-14)10(15(25)26)4-11-19-2-3-20-11;17-13-12-10(7-11-19-3-4-20-11)15(24)23(14(12)22-16(18)21-13)8-9-1-5-25-6-2-9/h8-10H,5-7,11H2,1-4H3,(H,27,28)(H2,25,29,30);1-7H,8H2,(H,21,22)(H2,20,24,25);1-6,8H,7H2,(H,21,22)(H2,20,24,25);3-6H,2,7H2,1H3,(H,20,21)(H2,19,22,23);2-6H,7H2,1H3,(H,19,20)(H2,18,23,24);3-4,7,9H,1-2,5-6,8H2,(H,19,20)(H2,18,21,22)/b15-8-;9-7-;10-6-;8-5-;10-4-;10-7-
InChIKeyVJDPQHXVEBCQNX-BHJCUVTGSA-N
MW2406.46 g/mol
LogP15.44
Rot. Bonds23

About (5Z)-2-amino-7-(1,3-benzothiazol-6-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-7-(1,3-benzoxazol-2-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-5-[(2-butyl-1H-imidazol-5-yl)methylidene]-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(5-methylpyrazin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-(oxan-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-6-one

(5Z)-2-amino-7-(1,3-benzothiazol-6-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-7-(1,3-benzoxazol-2-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-5-[(2-butyl-1H-imidazol-5-yl)methylidene]-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(5-methylpyrazin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-(oxan-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 161313146) has the molecular formula C107H94Cl7N43O9S and a molecular weight of 2406.46 g/mol. Its IUPAC name is (5Z)-2-amino-7-(1,3-benzothiazol-6-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-7-(1,3-benzoxazol-2-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-5-[(2-butyl-1H-imidazol-5-yl)methylidene]-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(5-methylpyrazin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-(oxan-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name(5Z)-2-amino-7-(1,3-benzothiazol-6-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-7-(1,3-benzoxazol-2-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-5-[(2-butyl-1H-imidazol-5-yl)methylidene]-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(5-methylpyrazin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-(oxan-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID161313146
Molecular FormulaC107H94Cl7N43O9S
Molecular Weight2406.46 g/mol
Exact Mass2401.58
IUPAC Name(5Z)-2-amino-7-(1,3-benzothiazol-6-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-7-(1,3-benzoxazol-2-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-5-[(2-butyl-1H-imidazol-5-yl)methylidene]-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(5-methylpyrazin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-(oxan-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-6-one
SMILESCCCCc1ncc(/C=C2\C(=O)N(Cc3ncc(C)c(OC)c3C)c3nc(N)nc(Cl)c32)[nH]1.CCn1cc(Cl)c(CN2C(=O)/C(=C\c3ncc[nH]3)c3c(Cl)nc(N)nc32)n1.Cc1cnc(CN2C(=O)/C(=C\c3ncc[nH]3)c3c(Cl)nc(N)nc32)cn1.Nc1nc(Cl)c2c(n1)N(CC1CCOCC1)C(=O)/C2=C\c1ncc[nH]1.Nc1nc(Cl)c2c(n1)N(Cc1ccc3ncsc3c1)C(=O)/C2=C\c1ncc[nH]1.Nc1nc(Cl)c2c(n1)N(Cc1nc3ccccc3o1)C(=O)/C2=C\c1ncc[nH]1
InChIInChI=1S/C23H26ClN7O2.C18H12ClN7O2.C18H12ClN7OS.C16H14Cl2N8O.C16H13ClN8O.C16H17ClN6O2/c1-5-6-7-17-27-10-14(28-17)8-15-18-20(24)29-23(25)30-21(18)31(22(15)32)11-16-13(3)19(33-4)12(2)9-26-16;19-15-14-9(7-12-21-5-6-22-12)17(27)26(16(14)25-18(20)24-15)8-13-23-10-3-1-2-4-11(10)28-13;19-15-14-10(6-13-21-3-4-22-13)17(27)26(16(14)25-18(20)24-15)7-9-1-2-11-12(5-9)28-8-23-11;1-2-25-6-9(17)10(24-25)7-26-14-12(13(18)22-16(19)23-14)8(15(26)27)5-11-20-3-4-21-11;1-8-5-22-9(6-21-8)7-25-14-12(13(17)23-16(18)24-14)10(15(25)26)4-11-19-2-3-20-11;17-13-12-10(7-11-19-3-4-20-11)15(24)23(14(12)22-16(18)21-13)8-9-1-5-25-6-2-9/h8-10H,5-7,11H2,1-4H3,(H,27,28)(H2,25,29,30);1-7H,8H2,(H,21,22)(H2,20,24,25);1-6,8H,7H2,(H,21,22)(H2,20,24,25);3-6H,2,7H2,1H3,(H,20,21)(H2,19,22,23);2-6H,7H2,1H3,(H,19,20)(H2,18,23,24);3-4,7,9H,1-2,5-6,8H2,(H,19,20)(H2,18,21,22)/b15-8-;9-7-;10-6-;8-5-;10-4-;10-7-
InChIKeyVJDPQHXVEBCQNX-BHJCUVTGSA-N
XLogP15.44
TPSA718.61 Ų
H-Bond Donors12
H-Bond Acceptors41
Rotatable Bonds23
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002406.46
LogP ≤ 515.44
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-2-amino-7-(1,3-benzothiazol-6-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-7-(1,3-benzoxazol-2-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-5-[(2-butyl-1H-imidazol-5-yl)methylidene]-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(5-methylpyrazin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-(oxan-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-6-one with MolForge

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Related Compounds

bis(1H-benzimidazole);1-benzofuran;1,3-benzothiazole;bis(1,3-benzoxazole);3-chloro-5-methylpyridine;3-chloropyridine;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;2,3-difluoropyridine;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;2H-indene;bis(1H-indole);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;4-(trifluoromethyl)pyridine
CID 159672532
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 160673149
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 162116184
tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;4-methyl-1H-pyrazole;2-methylpyrazolo[1,5-a]pyridine
CID 157085631
bis(5H-cyclopenta[c]pyridazine);icosakis(2,2-dimethylpropane);furo[2,3-c]pyridazine;bis(furo[3,2-c]pyridazine);bis([1,3]oxazolo[4,5-c]pyridazine);bis([1,3]oxazolo[5,4-c]pyridazine);bis(5H-pyrrolo[2,3-c]pyridazine);bis(7H-pyrrolo[2,3-c]pyridazine);bis([1,3]thiazolo[4,5-c]pyridazine);bis([1,3]thiazolo[5,4-c]pyridazine);thieno[2,3-c]pyridazine;bis(thieno[3,2-c]pyridazine)
CID 157118018
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine);2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;8-propan-2-yl-7H-purine;6-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;6-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
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1,2-dimethylbenzimidazole;2,4-dimethyl-1,3-benzoxazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,7-dimethyl-1,3-benzoxazole;ethylbenzene;5-ethyl-2-methyltetrazole;2-ethyl-[1,3]oxazolo[4,5-c]pyridine;2-ethyl-[1,3]oxazolo[5,4-c]pyridine;3-ethylpyridazine;2-ethylpyridine;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methyl-[1,3]oxazolo[5,4-b]pyridine;6-methyl-[1,3]oxazolo[4,5-c]pyridazine;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine
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methane;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-ylbenzotriazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-ylthieno[2,3-b]pyridine
CID 157217197
bis(6H-cyclopenta[c]pyridazine);5H-cyclopenta[d]pyrimidine;furo[2,3-d]pyridazine;furo[2,3-d]pyrimidine;furo[3,2-d]pyrimidine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;methane;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyrimidine;pyrazolo[1,5-b]pyridazine;pyrazolo[1,5-c]pyrimidine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-a][1,3,5]triazine;pyrrolo[1,2-b]pyridazine;pyrrolo[1,2-b][1,2,4]triazine;pyrrolo[1,2-c]pyrimidine;pyrrolo[2,1-c][1,2,4]triazine;1H-pyrrolo[2,3-d]pyridazine;7H-pyrrolo[2,3-d]pyrimidine;pyrrolo[1,2-d][1,2,4]triazine;thieno[2,3-d]pyridazine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine;triazolo[1,5-a]pyridine
CID 157240148
tris(6H-cyclopenta[b]pyrazine);5H-cyclopenta[c]pyridazine;tris(6H-cyclopenta[c]pyridazine);5H-cyclopenta[d]pyrimidine;furo[2,3-b]pyrazine;furo[2,3-c]pyridazine;furo[3,2-c]pyridazine;furo[2,3-d]pyridazine;furo[2,3-d]pyrimidine;furo[3,2-d]pyrimidine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;pyrazolo[1,5-a]pyrazine;pyrazolo[1,5-a]pyridine;pyrazolo[1,5-a]pyrimidine;pyrazolo[1,5-b]pyridazine;pyrazolo[1,5-c]pyrimidine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;5H-pyrrolo[2,3-b]pyrazine;pyrrolo[1,2-b]pyridazine;7H-pyrrolo[2,3-c]pyridazine;pyrrolo[1,2-c]pyrimidine;1H-pyrrolo[2,3-d]pyridazine;7H-pyrrolo[2,3-d]pyrimidine;thieno[2,3-b]pyrazine;thieno[2,3-c]pyridazine;thieno[3,2-c]pyridazine;thieno[2,3-d]pyridazine;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine
CID 157241333
CID 157244441
CID 157244441
4-methyl-2-propan-2-yl-1,3-benzothiazole;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-propan-2-yl-7H-cyclopenta[d]pyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;7-propan-2-yl-1H-pyrazolo[4,5-d]pyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine
CID 157264548

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-amino-7-(1,3-benzothiazol-6-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-7-(1,3-benzoxazol-2-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-5-[(2-butyl-1H-imidazol-5-yl)methylidene]-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(5-methylpyrazin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-(oxan-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of (5Z)-2-amino-7-(1,3-benzothiazol-6-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-7-(1,3-benzoxazol-2-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-5-[(2-butyl-1H-imidazol-5-yl)methylidene]-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(5-methylpyrazin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-(oxan-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-6-one (CID 161313146) is (5Z)-2-amino-7-(1,3-benzothiazol-6-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-7-(1,3-benzoxazol-2-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-5-[(2-butyl-1H-imidazol-5-yl)methylidene]-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(5-methylpyrazin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-(oxan-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for (5Z)-2-amino-7-(1,3-benzothiazol-6-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-7-(1,3-benzoxazol-2-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-5-[(2-butyl-1H-imidazol-5-yl)methylidene]-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(5-methylpyrazin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-(oxan-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for (5Z)-2-amino-7-(1,3-benzothiazol-6-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-7-(1,3-benzoxazol-2-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-5-[(2-butyl-1H-imidazol-5-yl)methylidene]-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(5-methylpyrazin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-(oxan-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-6-one is CCCCc1ncc(/C=C2\C(=O)N(Cc3ncc(C)c(OC)c3C)c3nc(N)nc(Cl)c32)[nH]1.CCn1cc(Cl)c(CN2C(=O)/C(=C\c3ncc[nH]3)c3c(Cl)nc(N)nc32)n1.Cc1cnc(CN2C(=O)/C(=C\c3ncc[nH]3)c3c(Cl)nc(N)nc32)cn1.Nc1nc(Cl)c2c(n1)N(CC1CCOCC1)C(=O)/C2=C\c1ncc[nH]1.Nc1nc(Cl)c2c(n1)N(Cc1ccc3ncsc3c1)C(=O)/C2=C\c1ncc[nH]1.Nc1nc(Cl)c2c(n1)N(Cc1nc3ccccc3o1)C(=O)/C2=C\c1ncc[nH]1.
What is the InChIKey of (5Z)-2-amino-7-(1,3-benzothiazol-6-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-7-(1,3-benzoxazol-2-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-5-[(2-butyl-1H-imidazol-5-yl)methylidene]-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(5-methylpyrazin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-(oxan-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is VJDPQHXVEBCQNX-BHJCUVTGSA-N. The full InChI is InChI=1S/C23H26ClN7O2.C18H12ClN7O2.C18H12ClN7OS.C16H14Cl2N8O.C16H13ClN8O.C16H17ClN6O2/c1-5-6-7-17-27-10-14(28-17)8-15-18-20(24)29-23(25)30-21(18)31(22(15)32)11-16-13(3)19(33-4)12(2)9-26-16;19-15-14-9(7-12-21-5-6-22-12)17(27)26(16(14)25-18(20)24-15)8-13-23-10-3-1-2-4-11(10)28-13;19-15-14-10(6-13-21-3-4-22-13)17(27)26(16(14)25-18(20)24-15)7-9-1-2-11-12(5-9)28-8-23-11;1-2-25-6-9(17)10(24-25)7-26-14-12(13(18)22-16(19)23-14)8(15(26)27)5-11-20-3-4-21-11;1-8-5-22-9(6-21-8)7-25-14-12(13(17)23-16(18)24-14)10(15(25)26)4-11-19-2-3-20-11;17-13-12-10(7-11-19-3-4-20-11)15(24)23(14(12)22-16(18)21-13)8-9-1-5-25-6-2-9/h8-10H,5-7,11H2,1-4H3,(H,27,28)(H2,25,29,30);1-7H,8H2,(H,21,22)(H2,20,24,25);1-6,8H,7H2,(H,21,22)(H2,20,24,25);3-6H,2,7H2,1H3,(H,20,21)(H2,19,22,23);2-6H,7H2,1H3,(H,19,20)(H2,18,23,24);3-4,7,9H,1-2,5-6,8H2,(H,19,20)(H2,18,21,22)/b15-8-;9-7-;10-6-;8-5-;10-4-;10-7-.
What are the key properties of (5Z)-2-amino-7-(1,3-benzothiazol-6-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-7-(1,3-benzoxazol-2-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-5-[(2-butyl-1H-imidazol-5-yl)methylidene]-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(5-methylpyrazin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-(oxan-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-6-one?
(5Z)-2-amino-7-(1,3-benzothiazol-6-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-7-(1,3-benzoxazol-2-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-5-[(2-butyl-1H-imidazol-5-yl)methylidene]-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(5-methylpyrazin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-(oxan-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 2406.46 g/mol, XLogP of 15.44, 23 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-amino-7-(1,3-benzothiazol-6-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-7-(1,3-benzoxazol-2-ylmethyl)-4-chloro-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-5-[(2-butyl-1H-imidazol-5-yl)methylidene]-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-7-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-(1H-imidazol-2-ylmethylidene)pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-[(5-methylpyrazin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-6-one;(5Z)-2-amino-4-chloro-5-(1H-imidazol-2-ylmethylidene)-7-(oxan-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 161313146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).