3-(6-chloro-1H-benzimidazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-chloro-2H-benzotriazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-chloro-1H-indazol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-chloro-1H-indol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-cyclopropyl-1H-benzimidazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-cyclopropyl-2H-benzotriazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-cyclopropyl-1H-indazol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-cyclopropyl-1H-indol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one

C172H212Cl4N40O16 — CID 158225635

IUPAC3-(6-chloro-1H-benzimidazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-chloro-2H-benzotriazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-chloro-1H-indazol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-chloro-1H-indol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-cyclopropyl-1H-benzimidazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-cyclopropyl-2H-benzotriazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-cyclopropyl-1H-indazol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-cyclopropyl-1H-indol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one
SMILESC=CC(=O)N1CC(N2CCN(C(=O)CCc3cc(C4CC4)cc4[nH]cnc34)CC2)C1.C=CC(=O)N1CC(N2CCN(C(=O)CCc3cc(C4CC4)cc4cc[nH]c34)CC2)C1.C=CC(=O)N1CC(N2CCN(C(=O)CCc3cc(C4CC4)cc4cn[nH]c34)CC2)C1.C=CC(=O)N1CC(N2CCN(C(=O)CCc3cc(C4CC4)cc4n[nH]nc34)CC2)C1.C=CC(=O)N1CC(N2CCN(C(=O)CCc3cc(Cl)cc4[nH]cnc34)CC2)C1.C=CC(=O)N1CC(N2CCN(C(=O)CCc3cc(Cl)cc4cc[nH]c34)CC2)C1.C=CC(=O)N1CC(N2CCN(C(=O)CCc3cc(Cl)cc4cn[nH]c34)CC2)C1.C=CC(=O)N1CC(N2CCN(C(=O)CCc3cc(Cl)cc4n[nH]nc34)CC2)C1
InChIInChI=1S/C24H30N4O2.2C23H29N5O2.C22H28N6O2.C21H25ClN4O2.2C20H24ClN5O2.C19H23ClN6O2/c1-2-22(29)28-15-21(16-28)26-9-11-27(12-10-26)23(30)6-5-18-13-20(17-3-4-17)14-19-7-8-25-24(18)19;1-2-21(29)28-13-19(14-28)26-7-9-27(10-8-26)22(30)6-5-17-11-18(16-3-4-16)12-20-23(17)25-15-24-20;1-2-21(29)28-14-20(15-28)26-7-9-27(10-8-26)22(30)6-5-17-11-18(16-3-4-16)12-19-13-24-25-23(17)19;1-2-20(29)28-13-18(14-28)26-7-9-27(10-8-26)21(30)6-5-16-11-17(15-3-4-15)12-19-22(16)24-25-23-19;1-2-19(27)26-13-18(14-26)24-7-9-25(10-8-24)20(28)4-3-15-11-17(22)12-16-5-6-23-21(15)16;1-2-18(27)26-12-17(13-26)24-5-7-25(8-6-24)19(28)4-3-14-9-16(21)10-15-11-22-23-20(14)15;1-2-18(27)26-11-16(12-26)24-5-7-25(8-6-24)19(28)4-3-14-9-15(21)10-17-20(14)23-13-22-17;1-2-17(27)26-11-15(12-26)24-5-7-25(8-6-24)18(28)4-3-13-9-14(20)10-16-19(13)22-23-21-16/h2,7-8,13-14,17,21,25H,1,3-6,9-12,15-16H2;2,11-12,15-16,19H,1,3-10,13-14H2,(H,24,25);2,11-13,16,20H,1,3-10,14-15H2,(H,24,25);2,11-12,15,18H,1,3-10,13-14H2,(H,23,24,25);2,5-6,11-12,18,23H,1,3-4,7-10,13-14H2;2,9-11,17H,1,3-8,12-13H2,(H,22,23);2,9-10,13,16H,1,3-8,11-12H2,(H,22,23);2,9-10,15H,1,3-8,11-12H2,(H,21,22,23)
InChIKeyGDTMXGRZCBGNMK-UHFFFAOYSA-N
MW3237.66 g/mol
LogP14.42
Rot. Bonds44

About 3-(6-chloro-1H-benzimidazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-chloro-2H-benzotriazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-chloro-1H-indazol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-chloro-1H-indol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-cyclopropyl-1H-benzimidazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-cyclopropyl-2H-benzotriazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-cyclopropyl-1H-indazol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-cyclopropyl-1H-indol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one

3-(6-chloro-1H-benzimidazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-chloro-2H-benzotriazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-chloro-1H-indazol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-chloro-1H-indol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-cyclopropyl-1H-benzimidazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-cyclopropyl-2H-benzotriazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-cyclopropyl-1H-indazol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-cyclopropyl-1H-indol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one (PubChem CID 158225635) has the molecular formula C172H212Cl4N40O16 and a molecular weight of 3237.66 g/mol. Its IUPAC name is 3-(6-chloro-1H-benzimidazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-chloro-2H-benzotriazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-chloro-1H-indazol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-chloro-1H-indol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-cyclopropyl-1H-benzimidazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-cyclopropyl-2H-benzotriazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-cyclopropyl-1H-indazol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-cyclopropyl-1H-indol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(6-chloro-1H-benzimidazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-chloro-2H-benzotriazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-chloro-1H-indazol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-chloro-1H-indol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-cyclopropyl-1H-benzimidazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-cyclopropyl-2H-benzotriazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-cyclopropyl-1H-indazol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-cyclopropyl-1H-indol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one
PubChem CID158225635
Molecular FormulaC172H212Cl4N40O16
Molecular Weight3237.66 g/mol
Exact Mass3233.58
IUPAC Name3-(6-chloro-1H-benzimidazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-chloro-2H-benzotriazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-chloro-1H-indazol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-chloro-1H-indol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-cyclopropyl-1H-benzimidazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-cyclopropyl-2H-benzotriazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-cyclopropyl-1H-indazol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-cyclopropyl-1H-indol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one
SMILESC=CC(=O)N1CC(N2CCN(C(=O)CCc3cc(C4CC4)cc4[nH]cnc34)CC2)C1.C=CC(=O)N1CC(N2CCN(C(=O)CCc3cc(C4CC4)cc4cc[nH]c34)CC2)C1.C=CC(=O)N1CC(N2CCN(C(=O)CCc3cc(C4CC4)cc4cn[nH]c34)CC2)C1.C=CC(=O)N1CC(N2CCN(C(=O)CCc3cc(C4CC4)cc4n[nH]nc34)CC2)C1.C=CC(=O)N1CC(N2CCN(C(=O)CCc3cc(Cl)cc4[nH]cnc34)CC2)C1.C=CC(=O)N1CC(N2CCN(C(=O)CCc3cc(Cl)cc4cc[nH]c34)CC2)C1.C=CC(=O)N1CC(N2CCN(C(=O)CCc3cc(Cl)cc4cn[nH]c34)CC2)C1.C=CC(=O)N1CC(N2CCN(C(=O)CCc3cc(Cl)cc4n[nH]nc34)CC2)C1
InChIInChI=1S/C24H30N4O2.2C23H29N5O2.C22H28N6O2.C21H25ClN4O2.2C20H24ClN5O2.C19H23ClN6O2/c1-2-22(29)28-15-21(16-28)26-9-11-27(12-10-26)23(30)6-5-18-13-20(17-3-4-17)14-19-7-8-25-24(18)19;1-2-21(29)28-13-19(14-28)26-7-9-27(10-8-26)22(30)6-5-17-11-18(16-3-4-16)12-20-23(17)25-15-24-20;1-2-21(29)28-14-20(15-28)26-7-9-27(10-8-26)22(30)6-5-17-11-18(16-3-4-16)12-19-13-24-25-23(17)19;1-2-20(29)28-13-18(14-28)26-7-9-27(10-8-26)21(30)6-5-16-11-17(15-3-4-15)12-19-22(16)24-25-23-19;1-2-19(27)26-13-18(14-26)24-7-9-25(10-8-24)20(28)4-3-15-11-17(22)12-16-5-6-23-21(15)16;1-2-18(27)26-12-17(13-26)24-5-7-25(8-6-24)19(28)4-3-14-9-16(21)10-15-11-22-23-20(14)15;1-2-18(27)26-11-16(12-26)24-5-7-25(8-6-24)19(28)4-3-14-9-15(21)10-17-20(14)23-13-22-17;1-2-17(27)26-11-15(12-26)24-5-7-25(8-6-24)18(28)4-3-13-9-14(20)10-16-19(13)22-23-21-16/h2,7-8,13-14,17,21,25H,1,3-6,9-12,15-16H2;2,11-12,15-16,19H,1,3-10,13-14H2,(H,24,25);2,11-13,16,20H,1,3-10,14-15H2,(H,24,25);2,11-12,15,18H,1,3-10,13-14H2,(H,23,24,25);2,5-6,11-12,18,23H,1,3-4,7-10,13-14H2;2,9-11,17H,1,3-8,12-13H2,(H,22,23);2,9-10,13,16H,1,3-8,11-12H2,(H,22,23);2,9-10,15H,1,3-8,11-12H2,(H,21,22,23)
InChIKeyGDTMXGRZCBGNMK-UHFFFAOYSA-N
XLogP14.42
TPSA580.32 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds44
Heavy Atoms232
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003237.66
LogP ≤ 514.42
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(6-chloro-1H-benzimidazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-chloro-2H-benzotriazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-chloro-1H-indazol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-chloro-1H-indol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-cyclopropyl-1H-benzimidazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-cyclopropyl-2H-benzotriazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-cyclopropyl-1H-indazol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-cyclopropyl-1H-indol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylisoindol-2-yl)pentan-2-one;3-[2-[(2R)-5-[6-(aminomethyl)-1H-indol-3-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-1-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-(5,6-dimethylbenzimidazol-1-yl)butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-7-methyl-4-oxo-5-[3-(trifluoromethyl)pyrazol-1-yl]octan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157158955
CID 157956196
CID 157956196
CID 167542761
CID 167542761
6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[4-fluoro-2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-[4-fluoro-2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-[2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-[5-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one
CID 167568173
9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-fluoro-2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[5-fluoro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[2-(3-methyl-2H-indazol-6-yl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[5-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
CID 167657547
N-[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;4-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyrimidin-2-amine;1-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 157275717
1-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 157330204
3-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;2-methyl-N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 157388448
N-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one
CID 157409787
N-[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-(1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;1-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 157418257
1-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;methane
CID 157586646
1-[(2R,5S)-4-[7-(3-amino-5-methyl-1H-indol-4-yl)-6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(3-fluoro-6-methyl-2H-indazol-7-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(3-fluoro-5-methyl-1H-indol-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(3-fluoro-6-methyl-1H-indol-7-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one
CID 157720189

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-1H-benzimidazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-chloro-2H-benzotriazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-chloro-1H-indazol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-chloro-1H-indol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-cyclopropyl-1H-benzimidazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-cyclopropyl-2H-benzotriazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-cyclopropyl-1H-indazol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-cyclopropyl-1H-indol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(6-chloro-1H-benzimidazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-chloro-2H-benzotriazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-chloro-1H-indazol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-chloro-1H-indol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-cyclopropyl-1H-benzimidazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-cyclopropyl-2H-benzotriazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-cyclopropyl-1H-indazol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-cyclopropyl-1H-indol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one (CID 158225635) is 3-(6-chloro-1H-benzimidazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-chloro-2H-benzotriazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-chloro-1H-indazol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-chloro-1H-indol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-cyclopropyl-1H-benzimidazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-cyclopropyl-2H-benzotriazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-cyclopropyl-1H-indazol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-cyclopropyl-1H-indol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(6-chloro-1H-benzimidazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-chloro-2H-benzotriazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-chloro-1H-indazol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-chloro-1H-indol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-cyclopropyl-1H-benzimidazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-cyclopropyl-2H-benzotriazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-cyclopropyl-1H-indazol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-cyclopropyl-1H-indol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(6-chloro-1H-benzimidazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-chloro-2H-benzotriazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-chloro-1H-indazol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-chloro-1H-indol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-cyclopropyl-1H-benzimidazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-cyclopropyl-2H-benzotriazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-cyclopropyl-1H-indazol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-cyclopropyl-1H-indol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one is C=CC(=O)N1CC(N2CCN(C(=O)CCc3cc(C4CC4)cc4[nH]cnc34)CC2)C1.C=CC(=O)N1CC(N2CCN(C(=O)CCc3cc(C4CC4)cc4cc[nH]c34)CC2)C1.C=CC(=O)N1CC(N2CCN(C(=O)CCc3cc(C4CC4)cc4cn[nH]c34)CC2)C1.C=CC(=O)N1CC(N2CCN(C(=O)CCc3cc(C4CC4)cc4n[nH]nc34)CC2)C1.C=CC(=O)N1CC(N2CCN(C(=O)CCc3cc(Cl)cc4[nH]cnc34)CC2)C1.C=CC(=O)N1CC(N2CCN(C(=O)CCc3cc(Cl)cc4cc[nH]c34)CC2)C1.C=CC(=O)N1CC(N2CCN(C(=O)CCc3cc(Cl)cc4cn[nH]c34)CC2)C1.C=CC(=O)N1CC(N2CCN(C(=O)CCc3cc(Cl)cc4n[nH]nc34)CC2)C1.
What is the InChIKey of 3-(6-chloro-1H-benzimidazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-chloro-2H-benzotriazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-chloro-1H-indazol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-chloro-1H-indol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-cyclopropyl-1H-benzimidazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-cyclopropyl-2H-benzotriazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-cyclopropyl-1H-indazol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-cyclopropyl-1H-indol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one?
The InChIKey is GDTMXGRZCBGNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2.2C23H29N5O2.C22H28N6O2.C21H25ClN4O2.2C20H24ClN5O2.C19H23ClN6O2/c1-2-22(29)28-15-21(16-28)26-9-11-27(12-10-26)23(30)6-5-18-13-20(17-3-4-17)14-19-7-8-25-24(18)19;1-2-21(29)28-13-19(14-28)26-7-9-27(10-8-26)22(30)6-5-17-11-18(16-3-4-16)12-20-23(17)25-15-24-20;1-2-21(29)28-14-20(15-28)26-7-9-27(10-8-26)22(30)6-5-17-11-18(16-3-4-16)12-19-13-24-25-23(17)19;1-2-20(29)28-13-18(14-28)26-7-9-27(10-8-26)21(30)6-5-16-11-17(15-3-4-15)12-19-22(16)24-25-23-19;1-2-19(27)26-13-18(14-26)24-7-9-25(10-8-24)20(28)4-3-15-11-17(22)12-16-5-6-23-21(15)16;1-2-18(27)26-12-17(13-26)24-5-7-25(8-6-24)19(28)4-3-14-9-16(21)10-15-11-22-23-20(14)15;1-2-18(27)26-11-16(12-26)24-5-7-25(8-6-24)19(28)4-3-14-9-15(21)10-17-20(14)23-13-22-17;1-2-17(27)26-11-15(12-26)24-5-7-25(8-6-24)18(28)4-3-13-9-14(20)10-16-19(13)22-23-21-16/h2,7-8,13-14,17,21,25H,1,3-6,9-12,15-16H2;2,11-12,15-16,19H,1,3-10,13-14H2,(H,24,25);2,11-13,16,20H,1,3-10,14-15H2,(H,24,25);2,11-12,15,18H,1,3-10,13-14H2,(H,23,24,25);2,5-6,11-12,18,23H,1,3-4,7-10,13-14H2;2,9-11,17H,1,3-8,12-13H2,(H,22,23);2,9-10,13,16H,1,3-8,11-12H2,(H,22,23);2,9-10,15H,1,3-8,11-12H2,(H,21,22,23).
What are the key properties of 3-(6-chloro-1H-benzimidazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-chloro-2H-benzotriazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-chloro-1H-indazol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-chloro-1H-indol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-cyclopropyl-1H-benzimidazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-cyclopropyl-2H-benzotriazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-cyclopropyl-1H-indazol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-cyclopropyl-1H-indol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one?
3-(6-chloro-1H-benzimidazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-chloro-2H-benzotriazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-chloro-1H-indazol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-chloro-1H-indol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-cyclopropyl-1H-benzimidazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-cyclopropyl-2H-benzotriazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-cyclopropyl-1H-indazol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-cyclopropyl-1H-indol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one has a molecular weight of 3237.66 g/mol, XLogP of 14.42, 44 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-1H-benzimidazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-chloro-2H-benzotriazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-chloro-1H-indazol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-chloro-1H-indol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-cyclopropyl-1H-benzimidazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(6-cyclopropyl-2H-benzotriazol-4-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-cyclopropyl-1H-indazol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one;3-(5-cyclopropyl-1H-indol-7-yl)-1-[4-(1-prop-2-enoylazetidin-3-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 158225635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).