N-[6-[3-[2-(3-butoxyphenyl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-(3-methylphenyl)-2-oxoethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-(3-methylphenyl)-2-oxoethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-(oxetan-3-yl)acetamide;N-[6-[4-methyl-3-[2-oxo-2-[2-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-oxo-2-[3-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

C175H179N27O20 — CID 160517517

IUPACN-[6-[3-[2-(3-butoxyphenyl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-(3-methylphenyl)-2-oxoethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-(3-methylphenyl)-2-oxoethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-(oxetan-3-yl)acetamide;N-[6-[4-methyl-3-[2-oxo-2-[2-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-oxo-2-[3-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCCCCOc1cccc(C(=O)Cc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2C)c1.Cc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)cc1CC(=O)c1ccc(CN2CCCCC2)cc1.Cc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)cc1CC(=O)c1cccc(CN2CCCCC2)c1.Cc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)cc1CC(=O)c1ccccc1CN1CCCCC1.Cc1cccc(C(=O)Cc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2C)c1.Cc1cccc(C(=O)Cc2cc(Oc3ccc4nc(NC(=O)CC5COC5)cn4n3)ccc2C)c1
InChIInChI=1S/3C31H33N5O3.C29H30N4O4.C27H26N4O4.C26H24N4O3/c1-21-9-12-25(39-30-14-13-29-32-28(20-36(29)34-30)33-31(38)22-10-11-22)17-24(21)18-27(37)26-8-4-3-7-23(26)19-35-15-5-2-6-16-35;1-21-5-12-26(39-30-14-13-29-32-28(20-36(29)34-30)33-31(38)24-10-11-24)17-25(21)18-27(37)23-8-6-22(7-9-23)19-35-15-3-2-4-16-35;1-21-8-11-26(39-30-13-12-29-32-28(20-36(29)34-30)33-31(38)23-9-10-23)17-25(21)18-27(37)24-7-5-6-22(16-24)19-35-14-3-2-4-15-35;1-3-4-14-36-23-7-5-6-21(15-23)25(34)17-22-16-24(11-8-19(22)2)37-28-13-12-27-30-26(18-33(27)32-28)31-29(35)20-9-10-20;1-17-4-3-5-20(10-17)23(32)13-21-12-22(7-6-18(21)2)35-27-9-8-25-28-24(14-31(25)30-27)29-26(33)11-19-15-34-16-19;1-16-4-3-5-19(12-16)22(31)14-20-13-21(9-6-17(20)2)33-25-11-10-24-27-23(15-30(24)29-25)28-26(32)18-7-8-18/h3-4,7-9,12-14,17,20,22H,2,5-6,10-11,15-16,18-19H2,1H3,(H,33,38);5-9,12-14,17,20,24H,2-4,10-11,15-16,18-19H2,1H3,(H,33,38);5-8,11-13,16-17,20,23H,2-4,9-10,14-15,18-19H2,1H3,(H,33,38);5-8,11-13,15-16,18,20H,3-4,9-10,14,17H2,1-2H3,(H,31,35);3-10,12,14,19H,11,13,15-16H2,1-2H3,(H,29,33);3-6,9-13,15,18H,7-8,14H2,1-2H3,(H,28,32)
InChIKeyQTVPDMBYFDMJSK-UHFFFAOYSA-N
MW2980.53 g/mol
LogP32.00
Rot. Bonds53

About N-[6-[3-[2-(3-butoxyphenyl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-(3-methylphenyl)-2-oxoethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-(3-methylphenyl)-2-oxoethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-(oxetan-3-yl)acetamide;N-[6-[4-methyl-3-[2-oxo-2-[2-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-oxo-2-[3-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

N-[6-[3-[2-(3-butoxyphenyl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-(3-methylphenyl)-2-oxoethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-(3-methylphenyl)-2-oxoethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-(oxetan-3-yl)acetamide;N-[6-[4-methyl-3-[2-oxo-2-[2-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-oxo-2-[3-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 160517517) has the molecular formula C175H179N27O20 and a molecular weight of 2980.53 g/mol. Its IUPAC name is N-[6-[3-[2-(3-butoxyphenyl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-(3-methylphenyl)-2-oxoethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-(3-methylphenyl)-2-oxoethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-(oxetan-3-yl)acetamide;N-[6-[4-methyl-3-[2-oxo-2-[2-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-oxo-2-[3-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[3-[2-(3-butoxyphenyl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-(3-methylphenyl)-2-oxoethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-(3-methylphenyl)-2-oxoethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-(oxetan-3-yl)acetamide;N-[6-[4-methyl-3-[2-oxo-2-[2-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-oxo-2-[3-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID160517517
Molecular FormulaC175H179N27O20
Molecular Weight2980.53 g/mol
Exact Mass2978.38
IUPAC NameN-[6-[3-[2-(3-butoxyphenyl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-(3-methylphenyl)-2-oxoethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-(3-methylphenyl)-2-oxoethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-(oxetan-3-yl)acetamide;N-[6-[4-methyl-3-[2-oxo-2-[2-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-oxo-2-[3-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCCCCOc1cccc(C(=O)Cc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2C)c1.Cc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)cc1CC(=O)c1ccc(CN2CCCCC2)cc1.Cc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)cc1CC(=O)c1cccc(CN2CCCCC2)c1.Cc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)cc1CC(=O)c1ccccc1CN1CCCCC1.Cc1cccc(C(=O)Cc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2C)c1.Cc1cccc(C(=O)Cc2cc(Oc3ccc4nc(NC(=O)CC5COC5)cn4n3)ccc2C)c1
InChIInChI=1S/3C31H33N5O3.C29H30N4O4.C27H26N4O4.C26H24N4O3/c1-21-9-12-25(39-30-14-13-29-32-28(20-36(29)34-30)33-31(38)22-10-11-22)17-24(21)18-27(37)26-8-4-3-7-23(26)19-35-15-5-2-6-16-35;1-21-5-12-26(39-30-14-13-29-32-28(20-36(29)34-30)33-31(38)24-10-11-24)17-25(21)18-27(37)23-8-6-22(7-9-23)19-35-15-3-2-4-16-35;1-21-8-11-26(39-30-13-12-29-32-28(20-36(29)34-30)33-31(38)23-9-10-23)17-25(21)18-27(37)24-7-5-6-22(16-24)19-35-14-3-2-4-15-35;1-3-4-14-36-23-7-5-6-21(15-23)25(34)17-22-16-24(11-8-19(22)2)37-28-13-12-27-30-26(18-33(27)32-28)31-29(35)20-9-10-20;1-17-4-3-5-20(10-17)23(32)13-21-12-22(7-6-18(21)2)35-27-9-8-25-28-24(14-31(25)30-27)29-26(33)11-19-15-34-16-19;1-16-4-3-5-19(12-16)22(31)14-20-13-21(9-6-17(20)2)33-25-11-10-24-27-23(15-30(24)29-25)28-26(32)18-7-8-18/h3-4,7-9,12-14,17,20,22H,2,5-6,10-11,15-16,18-19H2,1H3,(H,33,38);5-9,12-14,17,20,24H,2-4,10-11,15-16,18-19H2,1H3,(H,33,38);5-8,11-13,16-17,20,23H,2-4,9-10,14-15,18-19H2,1H3,(H,33,38);5-8,11-13,15-16,18,20H,3-4,9-10,14,17H2,1-2H3,(H,31,35);3-10,12,14,19H,11,13,15-16H2,1-2H3,(H,29,33);3-6,9-13,15,18H,7-8,14H2,1-2H3,(H,28,32)
InChIKeyQTVPDMBYFDMJSK-UHFFFAOYSA-N
XLogP32.00
TPSA541.72 Ų
H-Bond Donors6
H-Bond Acceptors41
Rotatable Bonds53
Heavy Atoms222
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002980.53
LogP ≤ 532.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze N-[6-[3-[2-(3-butoxyphenyl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-(3-methylphenyl)-2-oxoethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-(3-methylphenyl)-2-oxoethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-(oxetan-3-yl)acetamide;N-[6-[4-methyl-3-[2-oxo-2-[2-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-oxo-2-[3-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

3-[7-[[4-(7,8-dihydro-5H-1,6-naphthyridin-6-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[3-oxo-7-[[4-[[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 157406230
7-N-benzyl-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[2-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[4-(1-fluoroethoxy)phenyl]methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-methylphenyl)methyl]-5-N-[(3-oxo-4H-chromen-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-chromen-6-yl)methyl]-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 157920519
4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;N-methyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157975420
4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzamide;4-methyl-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-N-[3-methyl-5-(trifluoromethyl)phenyl]benzamide;4-methyl-3-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)oxy-N-phenylbenzamide
CID 158968858
5-[2-(1-cyclopropylethenylamino)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-[[3-[(E)-2-[[8-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]prop-1-enyl]phenyl]methyl]-3H-isoindol-1-one
CID 143929620
N-[6-[4-methyl-3-[2-oxo-2-[2-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 147030732
N-[6-[4-methyl-3-[2-oxo-2-[3-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 147500301
N-[6-[4-methyl-3-[2-oxo-2-(3-phenylmethoxyphenyl)ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 148009632
N-[3-[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethyl]piperazin-1-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-[2-(2-propoxyethoxy)ethoxy]isoindole-1,3-dione;N-[1-(5-methyl-2-pyridinyl)-3-piperazin-1-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157174556
8-(6-cyclopropyl-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;[4-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2-methylimidazo[1,2-c]pyrimidin-8-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(1-propylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine
CID 157261644
N-[[5-(cyclohexylmethoxy)-2-fluorophenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[[3-(cyclohexylmethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;N-[2-[3-(cyclohexylmethoxy)phenyl]propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide;3-[2-fluoro-5-[(2-fluorophenyl)methoxy]phenyl]-1-imidazo[1,2-a]pyridin-7-ylpropan-1-one
CID 157347142
CID 157369808
CID 157369808

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-[2-(3-butoxyphenyl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-(3-methylphenyl)-2-oxoethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-(3-methylphenyl)-2-oxoethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-(oxetan-3-yl)acetamide;N-[6-[4-methyl-3-[2-oxo-2-[2-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-oxo-2-[3-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[3-[2-(3-butoxyphenyl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-(3-methylphenyl)-2-oxoethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-(3-methylphenyl)-2-oxoethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-(oxetan-3-yl)acetamide;N-[6-[4-methyl-3-[2-oxo-2-[2-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-oxo-2-[3-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 160517517) is N-[6-[3-[2-(3-butoxyphenyl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-(3-methylphenyl)-2-oxoethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-(3-methylphenyl)-2-oxoethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-(oxetan-3-yl)acetamide;N-[6-[4-methyl-3-[2-oxo-2-[2-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-oxo-2-[3-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[3-[2-(3-butoxyphenyl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-(3-methylphenyl)-2-oxoethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-(3-methylphenyl)-2-oxoethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-(oxetan-3-yl)acetamide;N-[6-[4-methyl-3-[2-oxo-2-[2-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-oxo-2-[3-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[3-[2-(3-butoxyphenyl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-(3-methylphenyl)-2-oxoethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-(3-methylphenyl)-2-oxoethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-(oxetan-3-yl)acetamide;N-[6-[4-methyl-3-[2-oxo-2-[2-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-oxo-2-[3-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is CCCCOc1cccc(C(=O)Cc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2C)c1.Cc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)cc1CC(=O)c1ccc(CN2CCCCC2)cc1.Cc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)cc1CC(=O)c1cccc(CN2CCCCC2)c1.Cc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)cc1CC(=O)c1ccccc1CN1CCCCC1.Cc1cccc(C(=O)Cc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2C)c1.Cc1cccc(C(=O)Cc2cc(Oc3ccc4nc(NC(=O)CC5COC5)cn4n3)ccc2C)c1.
What is the InChIKey of N-[6-[3-[2-(3-butoxyphenyl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-(3-methylphenyl)-2-oxoethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-(3-methylphenyl)-2-oxoethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-(oxetan-3-yl)acetamide;N-[6-[4-methyl-3-[2-oxo-2-[2-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-oxo-2-[3-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is QTVPDMBYFDMJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C31H33N5O3.C29H30N4O4.C27H26N4O4.C26H24N4O3/c1-21-9-12-25(39-30-14-13-29-32-28(20-36(29)34-30)33-31(38)22-10-11-22)17-24(21)18-27(37)26-8-4-3-7-23(26)19-35-15-5-2-6-16-35;1-21-5-12-26(39-30-14-13-29-32-28(20-36(29)34-30)33-31(38)24-10-11-24)17-25(21)18-27(37)23-8-6-22(7-9-23)19-35-15-3-2-4-16-35;1-21-8-11-26(39-30-13-12-29-32-28(20-36(29)34-30)33-31(38)23-9-10-23)17-25(21)18-27(37)24-7-5-6-22(16-24)19-35-14-3-2-4-15-35;1-3-4-14-36-23-7-5-6-21(15-23)25(34)17-22-16-24(11-8-19(22)2)37-28-13-12-27-30-26(18-33(27)32-28)31-29(35)20-9-10-20;1-17-4-3-5-20(10-17)23(32)13-21-12-22(7-6-18(21)2)35-27-9-8-25-28-24(14-31(25)30-27)29-26(33)11-19-15-34-16-19;1-16-4-3-5-19(12-16)22(31)14-20-13-21(9-6-17(20)2)33-25-11-10-24-27-23(15-30(24)29-25)28-26(32)18-7-8-18/h3-4,7-9,12-14,17,20,22H,2,5-6,10-11,15-16,18-19H2,1H3,(H,33,38);5-9,12-14,17,20,24H,2-4,10-11,15-16,18-19H2,1H3,(H,33,38);5-8,11-13,16-17,20,23H,2-4,9-10,14-15,18-19H2,1H3,(H,33,38);5-8,11-13,15-16,18,20H,3-4,9-10,14,17H2,1-2H3,(H,31,35);3-10,12,14,19H,11,13,15-16H2,1-2H3,(H,29,33);3-6,9-13,15,18H,7-8,14H2,1-2H3,(H,28,32).
What are the key properties of N-[6-[3-[2-(3-butoxyphenyl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-(3-methylphenyl)-2-oxoethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-(3-methylphenyl)-2-oxoethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-(oxetan-3-yl)acetamide;N-[6-[4-methyl-3-[2-oxo-2-[2-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-oxo-2-[3-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[3-[2-(3-butoxyphenyl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-(3-methylphenyl)-2-oxoethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-(3-methylphenyl)-2-oxoethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-(oxetan-3-yl)acetamide;N-[6-[4-methyl-3-[2-oxo-2-[2-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-oxo-2-[3-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 2980.53 g/mol, XLogP of 32.00, 53 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-[2-(3-butoxyphenyl)-2-oxoethyl]-4-methylphenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-(3-methylphenyl)-2-oxoethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-(3-methylphenyl)-2-oxoethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]-2-(oxetan-3-yl)acetamide;N-[6-[4-methyl-3-[2-oxo-2-[2-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-oxo-2-[3-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[4-methyl-3-[2-oxo-2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]phenoxy]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 160517517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).