2-[3-(1,3-benzoxazol-5-yl)-6-oxopyridazin-1-yl]-N-(3-fluoro-5-methylphenyl)propanamide;N-cyclohexyl-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-(3-fluoro-5-methylphenyl)-2-[3-(3H-inden-5-yl)-6-oxopyridazin-1-yl]propanamide;N-(1H-inden-5-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-(1H-indol-6-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide;2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylpropanamide

C190H180F6N32O26 — CID 161167561

IUPAC2-[3-(1,3-benzoxazol-5-yl)-6-oxopyridazin-1-yl]-N-(3-fluoro-5-methylphenyl)propanamide;N-cyclohexyl-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-(3-fluoro-5-methylphenyl)-2-[3-(3H-inden-5-yl)-6-oxopyridazin-1-yl]propanamide;N-(1H-inden-5-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-(1H-indol-6-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide;2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylpropanamide
SMILESCOc1cccc(-c2ccc(=O)n(C(C)C(=O)NC3CCCCC3)n2)c1.COc1cccc(-c2ccc(=O)n(C(C)C(=O)Nc3ccc(C(C)(F)F)cn3)n2)c1.COc1cccc(-c2ccc(=O)n(C(C)C(=O)Nc3ccc(C(C)(F)F)nc3)n2)c1.COc1cccc(-c2ccc(=O)n(C(C)C(=O)Nc3ccc4c(c3)C=CC4)n2)c1.COc1cccc(-c2ccc(=O)n(C(C)C(=O)Nc3ccc4cc[nH]c4c3)n2)c1.COc1cccc(-c2ccc(=O)n(C(C)C(=O)Nc3ccccc3)n2)c1.COc1cccc(-c2ccc(=O)n(C(C)C(=O)Nc3ccccn3)n2)c1.Cc1cc(F)cc(NC(=O)C(C)n2nc(-c3ccc4c(c3)CC=C4)ccc2=O)c1.Cc1cc(F)cc(NC(=O)C(C)n2nc(-c3ccc4ocnc4c3)ccc2=O)c1
InChIInChI=1S/C23H20FN3O2.C23H21N3O3.C22H20N4O3.2C21H20F2N4O3.C21H17FN4O3.C20H25N3O3.C20H19N3O3.C19H18N4O3/c1-14-10-19(24)13-20(11-14)25-23(29)15(2)27-22(28)9-8-21(26-27)18-7-6-16-4-3-5-17(16)12-18;1-15(23(28)24-19-10-9-16-5-3-6-17(16)13-19)26-22(27)12-11-21(25-26)18-7-4-8-20(14-18)29-2;1-14(22(28)24-17-7-6-15-10-11-23-20(15)13-17)26-21(27)9-8-19(25-26)16-4-3-5-18(12-16)29-2;1-13(20(29)25-15-7-9-18(24-12-15)21(2,22)23)27-19(28)10-8-17(26-27)14-5-4-6-16(11-14)30-3;1-13(20(29)25-18-9-7-15(12-24-18)21(2,22)23)27-19(28)10-8-17(26-27)14-5-4-6-16(11-14)30-3;1-12-7-15(22)10-16(8-12)24-21(28)13(2)26-20(27)6-4-17(25-26)14-3-5-19-18(9-14)23-11-29-19;2*1-14(20(25)21-16-8-4-3-5-9-16)23-19(24)12-11-18(22-23)15-7-6-10-17(13-15)26-2;1-13(19(25)21-17-8-3-4-11-20-17)23-18(24)10-9-16(22-23)14-6-5-7-15(12-14)26-2/h3-4,6-13,15H,5H2,1-2H3,(H,25,29);3-4,6-15H,5H2,1-2H3,(H,24,28);3-14,23H,1-2H3,(H,24,28);4-13H,1-3H3,(H,25,29);4-13H,1-3H3,(H,24,25,29);3-11,13H,1-2H3,(H,24,28);6-7,10-14,16H,3-5,8-9H2,1-2H3,(H,21,25);3-14H,1-2H3,(H,21,25);3-13H,1-2H3,(H,20,21,25)
InChIKeyUQTCKUSNDIPHNT-UHFFFAOYSA-N
MW3441.72 g/mol
LogP30.92
Rot. Bonds45

About 2-[3-(1,3-benzoxazol-5-yl)-6-oxopyridazin-1-yl]-N-(3-fluoro-5-methylphenyl)propanamide;N-cyclohexyl-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-(3-fluoro-5-methylphenyl)-2-[3-(3H-inden-5-yl)-6-oxopyridazin-1-yl]propanamide;N-(1H-inden-5-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-(1H-indol-6-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide;2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylpropanamide

2-[3-(1,3-benzoxazol-5-yl)-6-oxopyridazin-1-yl]-N-(3-fluoro-5-methylphenyl)propanamide;N-cyclohexyl-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-(3-fluoro-5-methylphenyl)-2-[3-(3H-inden-5-yl)-6-oxopyridazin-1-yl]propanamide;N-(1H-inden-5-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-(1H-indol-6-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide;2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylpropanamide (PubChem CID 161167561) has the molecular formula C190H180F6N32O26 and a molecular weight of 3441.72 g/mol. Its IUPAC name is 2-[3-(1,3-benzoxazol-5-yl)-6-oxopyridazin-1-yl]-N-(3-fluoro-5-methylphenyl)propanamide;N-cyclohexyl-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-(3-fluoro-5-methylphenyl)-2-[3-(3H-inden-5-yl)-6-oxopyridazin-1-yl]propanamide;N-(1H-inden-5-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-(1H-indol-6-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide;2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name2-[3-(1,3-benzoxazol-5-yl)-6-oxopyridazin-1-yl]-N-(3-fluoro-5-methylphenyl)propanamide;N-cyclohexyl-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-(3-fluoro-5-methylphenyl)-2-[3-(3H-inden-5-yl)-6-oxopyridazin-1-yl]propanamide;N-(1H-inden-5-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-(1H-indol-6-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide;2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylpropanamide
PubChem CID161167561
Molecular FormulaC190H180F6N32O26
Molecular Weight3441.72 g/mol
Exact Mass3439.37
IUPAC Name2-[3-(1,3-benzoxazol-5-yl)-6-oxopyridazin-1-yl]-N-(3-fluoro-5-methylphenyl)propanamide;N-cyclohexyl-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-(3-fluoro-5-methylphenyl)-2-[3-(3H-inden-5-yl)-6-oxopyridazin-1-yl]propanamide;N-(1H-inden-5-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-(1H-indol-6-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide;2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylpropanamide
SMILESCOc1cccc(-c2ccc(=O)n(C(C)C(=O)NC3CCCCC3)n2)c1.COc1cccc(-c2ccc(=O)n(C(C)C(=O)Nc3ccc(C(C)(F)F)cn3)n2)c1.COc1cccc(-c2ccc(=O)n(C(C)C(=O)Nc3ccc(C(C)(F)F)nc3)n2)c1.COc1cccc(-c2ccc(=O)n(C(C)C(=O)Nc3ccc4c(c3)C=CC4)n2)c1.COc1cccc(-c2ccc(=O)n(C(C)C(=O)Nc3ccc4cc[nH]c4c3)n2)c1.COc1cccc(-c2ccc(=O)n(C(C)C(=O)Nc3ccccc3)n2)c1.COc1cccc(-c2ccc(=O)n(C(C)C(=O)Nc3ccccn3)n2)c1.Cc1cc(F)cc(NC(=O)C(C)n2nc(-c3ccc4c(c3)CC=C4)ccc2=O)c1.Cc1cc(F)cc(NC(=O)C(C)n2nc(-c3ccc4ocnc4c3)ccc2=O)c1
InChIInChI=1S/C23H20FN3O2.C23H21N3O3.C22H20N4O3.2C21H20F2N4O3.C21H17FN4O3.C20H25N3O3.C20H19N3O3.C19H18N4O3/c1-14-10-19(24)13-20(11-14)25-23(29)15(2)27-22(28)9-8-21(26-27)18-7-6-16-4-3-5-17(16)12-18;1-15(23(28)24-19-10-9-16-5-3-6-17(16)13-19)26-22(27)12-11-21(25-26)18-7-4-8-20(14-18)29-2;1-14(22(28)24-17-7-6-15-10-11-23-20(15)13-17)26-21(27)9-8-19(25-26)16-4-3-5-18(12-16)29-2;1-13(20(29)25-15-7-9-18(24-12-15)21(2,22)23)27-19(28)10-8-17(26-27)14-5-4-6-16(11-14)30-3;1-13(20(29)25-18-9-7-15(12-24-18)21(2,22)23)27-19(28)10-8-17(26-27)14-5-4-6-16(11-14)30-3;1-12-7-15(22)10-16(8-12)24-21(28)13(2)26-20(27)6-4-17(25-26)14-3-5-19-18(9-14)23-11-29-19;2*1-14(20(25)21-16-8-4-3-5-9-16)23-19(24)12-11-18(22-23)15-7-6-10-17(13-15)26-2;1-13(19(25)21-17-8-3-4-11-20-17)23-18(24)10-9-16(22-23)14-6-5-7-15(12-14)26-2/h3-4,6-13,15H,5H2,1-2H3,(H,25,29);3-4,6-15H,5H2,1-2H3,(H,24,28);3-14,23H,1-2H3,(H,24,28);4-13H,1-3H3,(H,25,29);4-13H,1-3H3,(H,24,25,29);3-11,13H,1-2H3,(H,24,28);6-7,10-14,16H,3-5,8-9H2,1-2H3,(H,21,25);3-14H,1-2H3,(H,21,25);3-13H,1-2H3,(H,20,21,25)
InChIKeyUQTCKUSNDIPHNT-UHFFFAOYSA-N
XLogP30.92
TPSA721.01 Ų
H-Bond Donors10
H-Bond Acceptors48
Rotatable Bonds45
Heavy Atoms254
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003441.72
LogP ≤ 530.92
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1048

Analyze 2-[3-(1,3-benzoxazol-5-yl)-6-oxopyridazin-1-yl]-N-(3-fluoro-5-methylphenyl)propanamide;N-cyclohexyl-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-(3-fluoro-5-methylphenyl)-2-[3-(3H-inden-5-yl)-6-oxopyridazin-1-yl]propanamide;N-(1H-inden-5-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-(1H-indol-6-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide;2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylpropanamide with MolForge

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Launch Full Analysis

Related Compounds

[2-[(1,3-Benzoxazol-2-ylamino)methyl]-3-[2-[4-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidine-1-carbonyl]phenyl]pyrazol-1-yl]ethyl]piperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)phenyl]methanone
CID 123728141
1,5-di(propan-2-yl)benzotriazole;2-fluoro-4-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;3-methoxy-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-2H-triazole;1-propan-2-yl-2-(trifluoromethyl)benzene
CID 158433120
3-[(E)-2-[3-(1,2-benzoxazol-6-yl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[5-(ethenylamino)pyrazin-2-yl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[6-(ethenylamino)-3-pyridinyl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;6-[3-[(E)-2-(5-ethenyl-2-methylphenyl)ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;methane;4-methyl-3-[(E)-2-[2-methyl-3-(2-methylindazol-6-yl)phenyl]ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]benzaldehyde
CID 167630019
3-[(E)-2-[3-(1,2-benzoxazol-6-yl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[5-(ethenylamino)pyrazin-2-yl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-[3-[6-(ethenylamino)-3-pyridinyl]-2-methylphenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;6-[3-[(E)-2-(5-ethenyl-2-methylphenyl)ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;4-methyl-3-[(E)-2-[2-methyl-3-(2-methylindazol-6-yl)phenyl]ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-2-ylphenyl)ethenyl]benzaldehyde;4-methyl-3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]benzaldehyde
CID 167693179
1-[5-[7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-4-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 177170921
1-[5-[4-[5-(difluoromethoxy)-3-pyridinyl]-7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 177171052
1-[5-[4-(2-cyclopropyl-4-methoxyphenyl)-7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 177171453
1-[5-[4-[2-(difluoromethoxy)-4-pyridinyl]-7-fluoro-2-[4-(5-fluoro-3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 177172035
3-[5-fluoro-4-[1-[5-[7-fluoro-2-methyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-2-pyridinyl]piperidin-4-yl]-2-methoxyanilino]piperidine-2,6-dione
CID 176932694
8-fluoro-2-(6-methoxynaphthalen-2-yl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-(5-methoxy-3-pyridinyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;4-[6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;2-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-5-morpholin-4-yl-1,3-benzoxazole;4-[6-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine
CID 157205399
4-[4-(1,3-benzoxazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide;4-[4-(2-methoxy-3-pyridinyl)phenyl]-N-pyridin-3-ylbutanamide;4-[4-(4-methyl-1H-indazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide;4-[4-(2-oxo-1,3-dihydroinden-5-yl)phenyl]-N-pyridin-3-ylbutanamide;4-[4-(1H-pyrazol-4-yl)phenyl]-N-pyridin-3-ylbutanamide;N-pyridin-3-yl-4-(4-pyrimidin-5-ylphenyl)butanamide
CID 164978946
N,N-dimethylformamide;3-[5-fluoro-4-[1-[5-[7-fluoro-2-methyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indol-4-yl]-2-pyridinyl]piperidin-4-yl]-2-methoxyanilino]piperidine-2,6-dione
CID 176932693

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzoxazol-5-yl)-6-oxopyridazin-1-yl]-N-(3-fluoro-5-methylphenyl)propanamide;N-cyclohexyl-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-(3-fluoro-5-methylphenyl)-2-[3-(3H-inden-5-yl)-6-oxopyridazin-1-yl]propanamide;N-(1H-inden-5-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-(1H-indol-6-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide;2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylpropanamide?
The IUPAC name of 2-[3-(1,3-benzoxazol-5-yl)-6-oxopyridazin-1-yl]-N-(3-fluoro-5-methylphenyl)propanamide;N-cyclohexyl-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-(3-fluoro-5-methylphenyl)-2-[3-(3H-inden-5-yl)-6-oxopyridazin-1-yl]propanamide;N-(1H-inden-5-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-(1H-indol-6-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide;2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylpropanamide (CID 161167561) is 2-[3-(1,3-benzoxazol-5-yl)-6-oxopyridazin-1-yl]-N-(3-fluoro-5-methylphenyl)propanamide;N-cyclohexyl-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-(3-fluoro-5-methylphenyl)-2-[3-(3H-inden-5-yl)-6-oxopyridazin-1-yl]propanamide;N-(1H-inden-5-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-(1H-indol-6-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide;2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 2-[3-(1,3-benzoxazol-5-yl)-6-oxopyridazin-1-yl]-N-(3-fluoro-5-methylphenyl)propanamide;N-cyclohexyl-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-(3-fluoro-5-methylphenyl)-2-[3-(3H-inden-5-yl)-6-oxopyridazin-1-yl]propanamide;N-(1H-inden-5-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-(1H-indol-6-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide;2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylpropanamide?
The canonical SMILES for 2-[3-(1,3-benzoxazol-5-yl)-6-oxopyridazin-1-yl]-N-(3-fluoro-5-methylphenyl)propanamide;N-cyclohexyl-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-(3-fluoro-5-methylphenyl)-2-[3-(3H-inden-5-yl)-6-oxopyridazin-1-yl]propanamide;N-(1H-inden-5-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-(1H-indol-6-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide;2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylpropanamide is COc1cccc(-c2ccc(=O)n(C(C)C(=O)NC3CCCCC3)n2)c1.COc1cccc(-c2ccc(=O)n(C(C)C(=O)Nc3ccc(C(C)(F)F)cn3)n2)c1.COc1cccc(-c2ccc(=O)n(C(C)C(=O)Nc3ccc(C(C)(F)F)nc3)n2)c1.COc1cccc(-c2ccc(=O)n(C(C)C(=O)Nc3ccc4c(c3)C=CC4)n2)c1.COc1cccc(-c2ccc(=O)n(C(C)C(=O)Nc3ccc4cc[nH]c4c3)n2)c1.COc1cccc(-c2ccc(=O)n(C(C)C(=O)Nc3ccccc3)n2)c1.COc1cccc(-c2ccc(=O)n(C(C)C(=O)Nc3ccccn3)n2)c1.Cc1cc(F)cc(NC(=O)C(C)n2nc(-c3ccc4c(c3)CC=C4)ccc2=O)c1.Cc1cc(F)cc(NC(=O)C(C)n2nc(-c3ccc4ocnc4c3)ccc2=O)c1.
What is the InChIKey of 2-[3-(1,3-benzoxazol-5-yl)-6-oxopyridazin-1-yl]-N-(3-fluoro-5-methylphenyl)propanamide;N-cyclohexyl-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-(3-fluoro-5-methylphenyl)-2-[3-(3H-inden-5-yl)-6-oxopyridazin-1-yl]propanamide;N-(1H-inden-5-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-(1H-indol-6-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide;2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylpropanamide?
The InChIKey is UQTCKUSNDIPHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2.C23H21N3O3.C22H20N4O3.2C21H20F2N4O3.C21H17FN4O3.C20H25N3O3.C20H19N3O3.C19H18N4O3/c1-14-10-19(24)13-20(11-14)25-23(29)15(2)27-22(28)9-8-21(26-27)18-7-6-16-4-3-5-17(16)12-18;1-15(23(28)24-19-10-9-16-5-3-6-17(16)13-19)26-22(27)12-11-21(25-26)18-7-4-8-20(14-18)29-2;1-14(22(28)24-17-7-6-15-10-11-23-20(15)13-17)26-21(27)9-8-19(25-26)16-4-3-5-18(12-16)29-2;1-13(20(29)25-15-7-9-18(24-12-15)21(2,22)23)27-19(28)10-8-17(26-27)14-5-4-6-16(11-14)30-3;1-13(20(29)25-18-9-7-15(12-24-18)21(2,22)23)27-19(28)10-8-17(26-27)14-5-4-6-16(11-14)30-3;1-12-7-15(22)10-16(8-12)24-21(28)13(2)26-20(27)6-4-17(25-26)14-3-5-19-18(9-14)23-11-29-19;2*1-14(20(25)21-16-8-4-3-5-9-16)23-19(24)12-11-18(22-23)15-7-6-10-17(13-15)26-2;1-13(19(25)21-17-8-3-4-11-20-17)23-18(24)10-9-16(22-23)14-6-5-7-15(12-14)26-2/h3-4,6-13,15H,5H2,1-2H3,(H,25,29);3-4,6-15H,5H2,1-2H3,(H,24,28);3-14,23H,1-2H3,(H,24,28);4-13H,1-3H3,(H,25,29);4-13H,1-3H3,(H,24,25,29);3-11,13H,1-2H3,(H,24,28);6-7,10-14,16H,3-5,8-9H2,1-2H3,(H,21,25);3-14H,1-2H3,(H,21,25);3-13H,1-2H3,(H,20,21,25).
What are the key properties of 2-[3-(1,3-benzoxazol-5-yl)-6-oxopyridazin-1-yl]-N-(3-fluoro-5-methylphenyl)propanamide;N-cyclohexyl-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-(3-fluoro-5-methylphenyl)-2-[3-(3H-inden-5-yl)-6-oxopyridazin-1-yl]propanamide;N-(1H-inden-5-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-(1H-indol-6-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide;2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylpropanamide?
2-[3-(1,3-benzoxazol-5-yl)-6-oxopyridazin-1-yl]-N-(3-fluoro-5-methylphenyl)propanamide;N-cyclohexyl-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-(3-fluoro-5-methylphenyl)-2-[3-(3H-inden-5-yl)-6-oxopyridazin-1-yl]propanamide;N-(1H-inden-5-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-(1H-indol-6-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide;2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylpropanamide has a molecular weight of 3441.72 g/mol, XLogP of 30.92, 45 rotatable bonds, 10 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-benzoxazol-5-yl)-6-oxopyridazin-1-yl]-N-(3-fluoro-5-methylphenyl)propanamide;N-cyclohexyl-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-[5-(1,1-difluoroethyl)-2-pyridinyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-(3-fluoro-5-methylphenyl)-2-[3-(3H-inden-5-yl)-6-oxopyridazin-1-yl]propanamide;N-(1H-inden-5-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;N-(1H-indol-6-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide;2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide;2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 161167561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).