1-[6-[2-(4-aminophenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one

C195H228N30O33 — CID 157370793

IUPAC1-[6-[2-(4-aminophenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cc2cc(CC(=O)c3ccc(N)cc3)cnc2[nH]1.CC(C)(C)C(=O)c1cc2cc(CC(=O)c3ccc(N)cc3)ncc2[nH]1.CC(C)(C)C(=O)c1cc2cc(CC(=O)c3ccc(O)cc3)cnc2[nH]1.CC(C)(C)C(=O)c1cc2cc(CC(=O)c3ccc(O)cc3)ncc2[nH]1.CC(C)(C)C(=O)c1cn2cc(CC(=O)c3ccc(N)cc3)ccc2n1.CC(C)(C)C(=O)c1cn2cc(CC(=O)c3ccc(O)cc3)ccc2n1.COCCOCCOCCOCCn1cc(C(=O)Cc2cc3cc(C(=O)C(C)(C)C)[nH]c3cn2)nn1.COCCOCCOCCOCCn1cc(C(=O)Cc2ccc3nc(C(=O)C(C)(C)C)cn3c2)nn1.COCCOCCOCCOCCn1cc(C(=O)Cc2cnc3[nH]c(C(=O)C(C)(C)C)cc3c2)nn1
InChIInChI=1S/3C25H35N5O6.3C20H21N3O2.3C20H20N2O3/c1-25(2,3)24(32)20-14-18-13-19(26-16-21(18)27-20)15-23(31)22-17-30(29-28-22)5-6-34-9-10-36-12-11-35-8-7-33-4;1-25(2,3)23(32)20-15-19-13-18(16-26-24(19)27-20)14-22(31)21-17-30(29-28-21)5-6-34-9-10-36-12-11-35-8-7-33-4;1-25(2,3)24(32)21-17-29-16-19(5-6-23(29)26-21)15-22(31)20-18-30(28-27-20)7-8-34-11-12-36-14-13-35-10-9-33-4;1-20(2,3)19(25)16-12-23-11-13(4-9-18(23)22-16)10-17(24)14-5-7-15(21)8-6-14;1-20(2,3)18(25)16-10-14-8-12(11-22-19(14)23-16)9-17(24)13-4-6-15(21)7-5-13;1-20(2,3)19(25)16-9-13-8-15(22-11-17(13)23-16)10-18(24)12-4-6-14(21)7-5-12;1-20(2,3)19(25)16-12-22-11-13(4-9-18(22)21-16)10-17(24)14-5-7-15(23)8-6-14;1-20(2,3)18(25)16-10-14-8-12(11-21-19(14)22-16)9-17(24)13-4-6-15(23)7-5-13;1-20(2,3)19(25)16-9-13-8-14(21-11-17(13)22-16)10-18(24)12-4-6-15(23)7-5-12/h13-14,16-17,27H,5-12,15H2,1-4H3;13,15-17H,5-12,14H2,1-4H3,(H,26,27);5-6,16-18H,7-15H2,1-4H3;4-9,11-12H,10,21H2,1-3H3;4-8,10-11H,9,21H2,1-3H3,(H,22,23);4-9,11,23H,10,21H2,1-3H3;4-9,11-12,23H,10H2,1-3H3;4-8,10-11,23H,9H2,1-3H3,(H,21,22);4-9,11,22-23H,10H2,1-3H3
InChIKeyBJSTXNORCBEZHP-UHFFFAOYSA-N
MW3520.15 g/mol
LogP29.99
Rot. Bonds72

About 1-[6-[2-(4-aminophenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one

1-[6-[2-(4-aminophenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 157370793) has the molecular formula C195H228N30O33 and a molecular weight of 3520.15 g/mol. Its IUPAC name is 1-[6-[2-(4-aminophenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[6-[2-(4-aminophenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one
PubChem CID157370793
Molecular FormulaC195H228N30O33
Molecular Weight3520.15 g/mol
Exact Mass3517.71
IUPAC Name1-[6-[2-(4-aminophenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cc2cc(CC(=O)c3ccc(N)cc3)cnc2[nH]1.CC(C)(C)C(=O)c1cc2cc(CC(=O)c3ccc(N)cc3)ncc2[nH]1.CC(C)(C)C(=O)c1cc2cc(CC(=O)c3ccc(O)cc3)cnc2[nH]1.CC(C)(C)C(=O)c1cc2cc(CC(=O)c3ccc(O)cc3)ncc2[nH]1.CC(C)(C)C(=O)c1cn2cc(CC(=O)c3ccc(N)cc3)ccc2n1.CC(C)(C)C(=O)c1cn2cc(CC(=O)c3ccc(O)cc3)ccc2n1.COCCOCCOCCOCCn1cc(C(=O)Cc2cc3cc(C(=O)C(C)(C)C)[nH]c3cn2)nn1.COCCOCCOCCOCCn1cc(C(=O)Cc2ccc3nc(C(=O)C(C)(C)C)cn3c2)nn1.COCCOCCOCCOCCn1cc(C(=O)Cc2cnc3[nH]c(C(=O)C(C)(C)C)cc3c2)nn1
InChIInChI=1S/3C25H35N5O6.3C20H21N3O2.3C20H20N2O3/c1-25(2,3)24(32)20-14-18-13-19(26-16-21(18)27-20)15-23(31)22-17-30(29-28-22)5-6-34-9-10-36-12-11-35-8-7-33-4;1-25(2,3)23(32)20-15-19-13-18(16-26-24(19)27-20)14-22(31)21-17-30(29-28-21)5-6-34-9-10-36-12-11-35-8-7-33-4;1-25(2,3)24(32)21-17-29-16-19(5-6-23(29)26-21)15-22(31)20-18-30(28-27-20)7-8-34-11-12-36-14-13-35-10-9-33-4;1-20(2,3)19(25)16-12-23-11-13(4-9-18(23)22-16)10-17(24)14-5-7-15(21)8-6-14;1-20(2,3)18(25)16-10-14-8-12(11-22-19(14)23-16)9-17(24)13-4-6-15(21)7-5-13;1-20(2,3)19(25)16-9-13-8-15(22-11-17(13)23-16)10-18(24)12-4-6-14(21)7-5-12;1-20(2,3)19(25)16-12-22-11-13(4-9-18(22)21-16)10-17(24)14-5-7-15(23)8-6-14;1-20(2,3)18(25)16-10-14-8-12(11-21-19(14)22-16)9-17(24)13-4-6-15(23)7-5-13;1-20(2,3)19(25)16-9-13-8-14(21-11-17(13)22-16)10-18(24)12-4-6-15(23)7-5-12/h13-14,16-17,27H,5-12,15H2,1-4H3;13,15-17H,5-12,14H2,1-4H3,(H,26,27);5-6,16-18H,7-15H2,1-4H3;4-9,11-12H,10,21H2,1-3H3;4-8,10-11H,9,21H2,1-3H3,(H,22,23);4-9,11,23H,10,21H2,1-3H3;4-9,11-12,23H,10H2,1-3H3;4-8,10-11,23H,9H2,1-3H3,(H,21,22);4-9,11,22-23H,10H2,1-3H3
InChIKeyBJSTXNORCBEZHP-UHFFFAOYSA-N
XLogP29.99
TPSA872.88 Ų
H-Bond Donors12
H-Bond Acceptors57
Rotatable Bonds72
Heavy Atoms258
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003520.15
LogP ≤ 529.99
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1057

Computed Properties (RDKit)

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

Analyze 1-[6-[2-(4-aminophenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[2-(4-aminophenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[6-[2-(4-aminophenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one (CID 157370793) is 1-[6-[2-(4-aminophenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[6-[2-(4-aminophenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[6-[2-(4-aminophenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1cc2cc(CC(=O)c3ccc(N)cc3)cnc2[nH]1.CC(C)(C)C(=O)c1cc2cc(CC(=O)c3ccc(N)cc3)ncc2[nH]1.CC(C)(C)C(=O)c1cc2cc(CC(=O)c3ccc(O)cc3)cnc2[nH]1.CC(C)(C)C(=O)c1cc2cc(CC(=O)c3ccc(O)cc3)ncc2[nH]1.CC(C)(C)C(=O)c1cn2cc(CC(=O)c3ccc(N)cc3)ccc2n1.CC(C)(C)C(=O)c1cn2cc(CC(=O)c3ccc(O)cc3)ccc2n1.COCCOCCOCCOCCn1cc(C(=O)Cc2cc3cc(C(=O)C(C)(C)C)[nH]c3cn2)nn1.COCCOCCOCCOCCn1cc(C(=O)Cc2ccc3nc(C(=O)C(C)(C)C)cn3c2)nn1.COCCOCCOCCOCCn1cc(C(=O)Cc2cnc3[nH]c(C(=O)C(C)(C)C)cc3c2)nn1.
What is the InChIKey of 1-[6-[2-(4-aminophenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one?
The InChIKey is BJSTXNORCBEZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C25H35N5O6.3C20H21N3O2.3C20H20N2O3/c1-25(2,3)24(32)20-14-18-13-19(26-16-21(18)27-20)15-23(31)22-17-30(29-28-22)5-6-34-9-10-36-12-11-35-8-7-33-4;1-25(2,3)23(32)20-15-19-13-18(16-26-24(19)27-20)14-22(31)21-17-30(29-28-21)5-6-34-9-10-36-12-11-35-8-7-33-4;1-25(2,3)24(32)21-17-29-16-19(5-6-23(29)26-21)15-22(31)20-18-30(28-27-20)7-8-34-11-12-36-14-13-35-10-9-33-4;1-20(2,3)19(25)16-12-23-11-13(4-9-18(23)22-16)10-17(24)14-5-7-15(21)8-6-14;1-20(2,3)18(25)16-10-14-8-12(11-22-19(14)23-16)9-17(24)13-4-6-15(21)7-5-13;1-20(2,3)19(25)16-9-13-8-15(22-11-17(13)23-16)10-18(24)12-4-6-14(21)7-5-12;1-20(2,3)19(25)16-12-22-11-13(4-9-18(22)21-16)10-17(24)14-5-7-15(23)8-6-14;1-20(2,3)18(25)16-10-14-8-12(11-21-19(14)22-16)9-17(24)13-4-6-15(23)7-5-13;1-20(2,3)19(25)16-9-13-8-14(21-11-17(13)22-16)10-18(24)12-4-6-15(23)7-5-12/h13-14,16-17,27H,5-12,15H2,1-4H3;13,15-17H,5-12,14H2,1-4H3,(H,26,27);5-6,16-18H,7-15H2,1-4H3;4-9,11-12H,10,21H2,1-3H3;4-8,10-11H,9,21H2,1-3H3,(H,22,23);4-9,11,23H,10,21H2,1-3H3;4-9,11-12,23H,10H2,1-3H3;4-8,10-11,23H,9H2,1-3H3,(H,21,22);4-9,11,22-23H,10H2,1-3H3.
What are the key properties of 1-[6-[2-(4-aminophenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one?
1-[6-[2-(4-aminophenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one has a molecular weight of 3520.15 g/mol, XLogP of 29.99, 72 rotatable bonds, 12 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-(4-aminophenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-aminophenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-(4-hydroxyphenyl)-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[6-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]imidazo[1,2-a]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one;1-[5-[2-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]-2-oxoethyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 157370793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).