(4E)-4-[[5-[(6-chloro-3-pyridinyl)amino]-7-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-[(5-methyl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(3-propanoylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(pyridin-4-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(3-pyrrolidin-1-ylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one

C115H119ClN34O8S — CID 158014240

IUPAC(4E)-4-[[5-[(6-chloro-3-pyridinyl)amino]-7-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-[(5-methyl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(3-propanoylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(pyridin-4-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(3-pyrrolidin-1-ylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
SMILESC=C1NC(=O)C/C1=C\c1cnn2c(NCC3CC3)cc(Nc3ccc(C)cn3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NCC3CC3)cc(Nc3ccc(Cl)nc3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NCC3CC3)cc(Nc3cccc(C(=O)CC)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NCC3CC3)cc(Nc3cccc(S(=O)(=O)N4CCCC4)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NCC3CC3)cc(Nc3ccncc3)nc12
InChIInChI=1S/C26H29N7O3S.C25H26N6O2.C22H23N7O.C21H20ClN7O.C21H21N7O/c1-17-19(12-25(34)29-17)11-20-16-28-33-24(27-15-18-7-8-18)14-23(31-26(20)33)30-21-5-4-6-22(13-21)37(35,36)32-9-2-3-10-32;1-3-21(32)17-5-4-6-20(10-17)29-22-12-23(26-13-16-7-8-16)31-25(30-22)19(14-27-31)9-18-11-24(33)28-15(18)2;1-13-3-6-18(23-10-13)27-19-9-20(24-11-15-4-5-15)29-22(28-19)17(12-25-29)7-16-8-21(30)26-14(16)2;1-12-14(7-20(30)26-12)6-15-10-25-29-19(24-9-13-2-3-13)8-18(28-21(15)29)27-16-4-5-17(22)23-11-16;1-13-15(9-20(29)25-13)8-16-12-24-28-19(23-11-14-2-3-14)10-18(27-21(16)28)26-17-4-6-22-7-5-17/h4-6,11,13-14,16,18,27H,1-3,7-10,12,15H2,(H,29,34)(H,30,31);4-6,9-10,12,14,16,26H,2-3,7-8,11,13H2,1H3,(H,28,33)(H,29,30);3,6-7,9-10,12,15,24H,2,4-5,8,11H2,1H3,(H,26,30)(H,23,27,28);4-6,8,10-11,13,24H,1-3,7,9H2,(H,26,30)(H,27,28);4-8,10,12,14,23H,1-3,9,11H2,(H,25,29)(H,22,26,27)/b19-11+;18-9+;16-7+;14-6+;15-8+
InChIKeyFFGNCXRDKCBTKN-YGAKMWJOSA-N
MW2172.97 g/mol
LogP18.08
Rot. Bonds34

About (4E)-4-[[5-[(6-chloro-3-pyridinyl)amino]-7-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-[(5-methyl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(3-propanoylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(pyridin-4-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(3-pyrrolidin-1-ylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one

(4E)-4-[[5-[(6-chloro-3-pyridinyl)amino]-7-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-[(5-methyl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(3-propanoylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(pyridin-4-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(3-pyrrolidin-1-ylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one (PubChem CID 158014240) has the molecular formula C115H119ClN34O8S and a molecular weight of 2172.97 g/mol. Its IUPAC name is (4E)-4-[[5-[(6-chloro-3-pyridinyl)amino]-7-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-[(5-methyl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(3-propanoylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(pyridin-4-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(3-pyrrolidin-1-ylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name(4E)-4-[[5-[(6-chloro-3-pyridinyl)amino]-7-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-[(5-methyl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(3-propanoylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(pyridin-4-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(3-pyrrolidin-1-ylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
PubChem CID158014240
Molecular FormulaC115H119ClN34O8S
Molecular Weight2172.97 g/mol
Exact Mass2170.94
IUPAC Name(4E)-4-[[5-[(6-chloro-3-pyridinyl)amino]-7-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-[(5-methyl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(3-propanoylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(pyridin-4-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(3-pyrrolidin-1-ylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
SMILESC=C1NC(=O)C/C1=C\c1cnn2c(NCC3CC3)cc(Nc3ccc(C)cn3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NCC3CC3)cc(Nc3ccc(Cl)nc3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NCC3CC3)cc(Nc3cccc(C(=O)CC)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NCC3CC3)cc(Nc3cccc(S(=O)(=O)N4CCCC4)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NCC3CC3)cc(Nc3ccncc3)nc12
InChIInChI=1S/C26H29N7O3S.C25H26N6O2.C22H23N7O.C21H20ClN7O.C21H21N7O/c1-17-19(12-25(34)29-17)11-20-16-28-33-24(27-15-18-7-8-18)14-23(31-26(20)33)30-21-5-4-6-22(13-21)37(35,36)32-9-2-3-10-32;1-3-21(32)17-5-4-6-20(10-17)29-22-12-23(26-13-16-7-8-16)31-25(30-22)19(14-27-31)9-18-11-24(33)28-15(18)2;1-13-3-6-18(23-10-13)27-19-9-20(24-11-15-4-5-15)29-22(28-19)17(12-25-29)7-16-8-21(30)26-14(16)2;1-12-14(7-20(30)26-12)6-15-10-25-29-19(24-9-13-2-3-13)8-18(28-21(15)29)27-16-4-5-17(22)23-11-16;1-13-15(9-20(29)25-13)8-16-12-24-28-19(23-11-14-2-3-14)10-18(27-21(16)28)26-17-4-6-22-7-5-17/h4-6,11,13-14,16,18,27H,1-3,7-10,12,15H2,(H,29,34)(H,30,31);4-6,9-10,12,14,16,26H,2-3,7-8,11,13H2,1H3,(H,28,33)(H,29,30);3,6-7,9-10,12,15,24H,2,4-5,8,11H2,1H3,(H,26,30)(H,23,27,28);4-6,8,10-11,13,24H,1-3,7,9H2,(H,26,30)(H,27,28);4-8,10,12,14,23H,1-3,9,11H2,(H,25,29)(H,22,26,27)/b19-11+;18-9+;16-7+;14-6+;15-8+
InChIKeyFFGNCXRDKCBTKN-YGAKMWJOSA-N
XLogP18.08
TPSA509.87 Ų
H-Bond Donors15
H-Bond Acceptors36
Rotatable Bonds34
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002172.97
LogP ≤ 518.08
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (4E)-4-[[5-[(6-chloro-3-pyridinyl)amino]-7-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-[(5-methyl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(3-propanoylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(pyridin-4-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(3-pyrrolidin-1-ylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one with MolForge

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Related Compounds

N-(6-chloro-3-methylimidazo[1,2-b]pyridazin-2-yl)-2,2,2-trifluoroacetamide;6-chloropyridazin-3-amine;N-(6-chloro-2H-pyridin-3-ylidene)-4-methylbenzenesulfonamide;6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-amine;2-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-yl]-1-phenylethanone;1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-3-methylimidazo[1,2-b]pyridazin-2-yl]propan-2-one;3-(4-fluorophenyl)-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 162012748
(3E)-3-[[5-(3-chloroanilino)-7-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[5-chloro-7-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[5-(5-chloro-2-methylanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[7-(cyclopropylamino)-5-(pyridin-4-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione
CID 157328314
3-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]-5-cyclopropyl-N-propan-2-ylbenzamide;1-[3-[3-chloro-5-(1-methylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[4-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 157425308
N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-4-sulfonamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-sulfonamide
CID 158978520
(4E)-4-[[5-[(5-chloro-2-fluorophenyl)methylamino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-imidazol-1-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]benzenesulfonamide;(4E)-4-[[7-(cyclopropylamino)-5-[[3-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-morpholin-4-yl-4-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 159799582
N-[4-chloro-2-[(2S)-2-[5-cyclopropyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;2-[(2S)-1-[5-chloro-2-(dimethylsulfamoylamino)benzoyl]piperidin-2-yl]-6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine;N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]benzamide;N-[4-chloro-2-[(2S)-2-[7-methyl-5-[methyl(propyl)amino]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;methane
CID 159921276
(4Z)-4-[[5-[(6-chloro-3-pyridinyl)amino]-7-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;N-[3-[[7-(cyclopropylmethylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]acetamide;(4Z)-4-[[7-(cyclopropylmethylamino)-5-[(5-methyl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylmethylamino)-5-(3-propanoylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylmethylamino)-5-(pyridin-4-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylmethylamino)-5-(3-pyrrolidin-1-ylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
CID 160355407
N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-hydroxypyridin-1-ium-4-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-oxidopyridin-1-ium-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-sulfonamide
CID 160737580
3-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]-5-cyclopropyl-N-propan-2-ylbenzamide;1-[3-[3-chloro-5-(1-methylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[4-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]amino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 160914960
4-[[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]benzenesulfonamide;(4E)-4-[[7-(cyclopropylamino)-5-[[3-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-morpholin-4-yl-4-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 160939074
2-[4-[[8-(8-Benzyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[4-[[8-[8-(3-chlorophenyl)sulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(2-phenylethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone;1-(4-methylpiperazin-1-yl)-2-[4-[[8-[8-(1,2-thiazole-5-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanone
CID 161326294

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[[5-[(6-chloro-3-pyridinyl)amino]-7-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-[(5-methyl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(3-propanoylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(pyridin-4-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(3-pyrrolidin-1-ylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
The IUPAC name of (4E)-4-[[5-[(6-chloro-3-pyridinyl)amino]-7-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-[(5-methyl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(3-propanoylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(pyridin-4-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(3-pyrrolidin-1-ylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one (CID 158014240) is (4E)-4-[[5-[(6-chloro-3-pyridinyl)amino]-7-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-[(5-methyl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(3-propanoylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(pyridin-4-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(3-pyrrolidin-1-ylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for (4E)-4-[[5-[(6-chloro-3-pyridinyl)amino]-7-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-[(5-methyl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(3-propanoylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(pyridin-4-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(3-pyrrolidin-1-ylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
The canonical SMILES for (4E)-4-[[5-[(6-chloro-3-pyridinyl)amino]-7-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-[(5-methyl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(3-propanoylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(pyridin-4-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(3-pyrrolidin-1-ylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one is C=C1NC(=O)C/C1=C\c1cnn2c(NCC3CC3)cc(Nc3ccc(C)cn3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NCC3CC3)cc(Nc3ccc(Cl)nc3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NCC3CC3)cc(Nc3cccc(C(=O)CC)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NCC3CC3)cc(Nc3cccc(S(=O)(=O)N4CCCC4)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NCC3CC3)cc(Nc3ccncc3)nc12.
What is the InChIKey of (4E)-4-[[5-[(6-chloro-3-pyridinyl)amino]-7-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-[(5-methyl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(3-propanoylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(pyridin-4-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(3-pyrrolidin-1-ylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
The InChIKey is FFGNCXRDKCBTKN-YGAKMWJOSA-N. The full InChI is InChI=1S/C26H29N7O3S.C25H26N6O2.C22H23N7O.C21H20ClN7O.C21H21N7O/c1-17-19(12-25(34)29-17)11-20-16-28-33-24(27-15-18-7-8-18)14-23(31-26(20)33)30-21-5-4-6-22(13-21)37(35,36)32-9-2-3-10-32;1-3-21(32)17-5-4-6-20(10-17)29-22-12-23(26-13-16-7-8-16)31-25(30-22)19(14-27-31)9-18-11-24(33)28-15(18)2;1-13-3-6-18(23-10-13)27-19-9-20(24-11-15-4-5-15)29-22(28-19)17(12-25-29)7-16-8-21(30)26-14(16)2;1-12-14(7-20(30)26-12)6-15-10-25-29-19(24-9-13-2-3-13)8-18(28-21(15)29)27-16-4-5-17(22)23-11-16;1-13-15(9-20(29)25-13)8-16-12-24-28-19(23-11-14-2-3-14)10-18(27-21(16)28)26-17-4-6-22-7-5-17/h4-6,11,13-14,16,18,27H,1-3,7-10,12,15H2,(H,29,34)(H,30,31);4-6,9-10,12,14,16,26H,2-3,7-8,11,13H2,1H3,(H,28,33)(H,29,30);3,6-7,9-10,12,15,24H,2,4-5,8,11H2,1H3,(H,26,30)(H,23,27,28);4-6,8,10-11,13,24H,1-3,7,9H2,(H,26,30)(H,27,28);4-8,10,12,14,23H,1-3,9,11H2,(H,25,29)(H,22,26,27)/b19-11+;18-9+;16-7+;14-6+;15-8+.
What are the key properties of (4E)-4-[[5-[(6-chloro-3-pyridinyl)amino]-7-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-[(5-methyl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(3-propanoylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(pyridin-4-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(3-pyrrolidin-1-ylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
(4E)-4-[[5-[(6-chloro-3-pyridinyl)amino]-7-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-[(5-methyl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(3-propanoylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(pyridin-4-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(3-pyrrolidin-1-ylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one has a molecular weight of 2172.97 g/mol, XLogP of 18.08, 34 rotatable bonds, 15 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[[5-[(6-chloro-3-pyridinyl)amino]-7-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-[(5-methyl-2-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(3-propanoylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(pyridin-4-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylmethylamino)-5-(3-pyrrolidin-1-ylsulfonylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 158014240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).