N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methyl-3-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxybenzamide;3-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-(1-ethylpyrazol-4-yl)-5-fluoroquinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[5-methoxy-7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-[1-(methoxymethyl)pyrazol-4-yl]quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]quinolin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide

C173H157F3N32O15 — CID 167585850

IUPACN-[(2,6-difluoro-4-pyridinyl)methyl]-2-methyl-3-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxybenzamide;3-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-(1-ethylpyrazol-4-yl)-5-fluoroquinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[5-methoxy-7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-[1-(methoxymethyl)pyrazol-4-yl]quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]quinolin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide
SMILESCCn1cc(-c2cc(F)c3c(Oc4cccc(C(=O)NCc5ccncc5)c4C)ccnc3c2)cn1.COCn1cc(-c2ccc3c(Oc4cccc(C(=O)NCc5ccncc5)c4C)ccnc3c2)cn1.COc1cc(-c2cnn(C)c2)cc2nccc(Oc3cccc(C(=O)NCc4ccncc4)c3C)c12.Cc1c(Oc2ccnc3cc(-c4cnn(C)c4)ccc23)cccc1C(=O)NCc1cc(F)nc(F)c1.Cc1c(Oc2ccnc3cc(-c4cnn(CCN(C)C)c4)ccc23)cccc1C(=O)NCc1ccncc1.Cc1c(Oc2ccnc3cc(-c4cnn(CCN5CCOCC5)c4)ccc23)cccc1C(=O)NCc1ccncc1
InChIInChI=1S/C32H32N6O3.C30H30N6O2.C28H24FN5O2.2C28H25N5O3.C27H21F2N5O2/c1-23-27(32(39)35-20-24-7-10-33-11-8-24)3-2-4-30(23)41-31-9-12-34-29-19-25(5-6-28(29)31)26-21-36-38(22-26)14-13-37-15-17-40-18-16-37;1-21-25(30(37)33-18-22-9-12-31-13-10-22)5-4-6-28(21)38-29-11-14-32-27-17-23(7-8-26(27)29)24-19-34-36(20-24)16-15-35(2)3;1-3-34-17-21(16-33-34)20-13-23(29)27-24(14-20)31-12-9-26(27)36-25-6-4-5-22(18(25)2)28(35)32-15-19-7-10-30-11-8-19;1-18-22(28(34)31-15-19-7-10-29-11-8-19)5-4-6-24(18)36-25-9-12-30-23-13-20(14-26(35-3)27(23)25)21-16-32-33(2)17-21;1-19-23(28(34)31-15-20-8-11-29-12-9-20)4-3-5-26(19)36-27-10-13-30-25-14-21(6-7-24(25)27)22-16-32-33(17-22)18-35-2;1-16-20(27(35)31-13-17-10-25(28)33-26(29)11-17)4-3-5-23(16)36-24-8-9-30-22-12-18(6-7-21(22)24)19-14-32-34(2)15-19/h2-12,19,21-22H,13-18,20H2,1H3,(H,35,39);4-14,17,19-20H,15-16,18H2,1-3H3,(H,33,37);4-14,16-17H,3,15H2,1-2H3,(H,32,35);4-14,16-17H,15H2,1-3H3,(H,31,34);3-14,16-17H,15,18H2,1-2H3,(H,31,34);3-12,14-15H,13H2,1-2H3,(H,31,35)
InChIKeyHUGJWMIEKPWYIB-UHFFFAOYSA-N
MW2981.36 g/mol
LogP31.16
Rot. Bonds46

About N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methyl-3-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxybenzamide;3-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-(1-ethylpyrazol-4-yl)-5-fluoroquinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[5-methoxy-7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-[1-(methoxymethyl)pyrazol-4-yl]quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]quinolin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide

N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methyl-3-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxybenzamide;3-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-(1-ethylpyrazol-4-yl)-5-fluoroquinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[5-methoxy-7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-[1-(methoxymethyl)pyrazol-4-yl]quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]quinolin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 167585850) has the molecular formula C173H157F3N32O15 and a molecular weight of 2981.36 g/mol. Its IUPAC name is N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methyl-3-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxybenzamide;3-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-(1-ethylpyrazol-4-yl)-5-fluoroquinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[5-methoxy-7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-[1-(methoxymethyl)pyrazol-4-yl]quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]quinolin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(2,6-difluoro-4-pyridinyl)methyl]-2-methyl-3-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxybenzamide;3-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-(1-ethylpyrazol-4-yl)-5-fluoroquinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[5-methoxy-7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-[1-(methoxymethyl)pyrazol-4-yl]quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]quinolin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide
PubChem CID167585850
Molecular FormulaC173H157F3N32O15
Molecular Weight2981.36 g/mol
Exact Mass2979.25
IUPAC NameN-[(2,6-difluoro-4-pyridinyl)methyl]-2-methyl-3-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxybenzamide;3-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-(1-ethylpyrazol-4-yl)-5-fluoroquinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[5-methoxy-7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-[1-(methoxymethyl)pyrazol-4-yl]quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]quinolin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide
SMILESCCn1cc(-c2cc(F)c3c(Oc4cccc(C(=O)NCc5ccncc5)c4C)ccnc3c2)cn1.COCn1cc(-c2ccc3c(Oc4cccc(C(=O)NCc5ccncc5)c4C)ccnc3c2)cn1.COc1cc(-c2cnn(C)c2)cc2nccc(Oc3cccc(C(=O)NCc4ccncc4)c3C)c12.Cc1c(Oc2ccnc3cc(-c4cnn(C)c4)ccc23)cccc1C(=O)NCc1cc(F)nc(F)c1.Cc1c(Oc2ccnc3cc(-c4cnn(CCN(C)C)c4)ccc23)cccc1C(=O)NCc1ccncc1.Cc1c(Oc2ccnc3cc(-c4cnn(CCN5CCOCC5)c4)ccc23)cccc1C(=O)NCc1ccncc1
InChIInChI=1S/C32H32N6O3.C30H30N6O2.C28H24FN5O2.2C28H25N5O3.C27H21F2N5O2/c1-23-27(32(39)35-20-24-7-10-33-11-8-24)3-2-4-30(23)41-31-9-12-34-29-19-25(5-6-28(29)31)26-21-36-38(22-26)14-13-37-15-17-40-18-16-37;1-21-25(30(37)33-18-22-9-12-31-13-10-22)5-4-6-28(21)38-29-11-14-32-27-17-23(7-8-26(27)29)24-19-34-36(20-24)16-15-35(2)3;1-3-34-17-21(16-33-34)20-13-23(29)27-24(14-20)31-12-9-26(27)36-25-6-4-5-22(18(25)2)28(35)32-15-19-7-10-30-11-8-19;1-18-22(28(34)31-15-19-7-10-29-11-8-19)5-4-6-24(18)36-25-9-12-30-23-13-20(14-26(35-3)27(23)25)21-16-32-33(2)17-21;1-19-23(28(34)31-15-20-8-11-29-12-9-20)4-3-5-26(19)36-27-10-13-30-25-14-21(6-7-24(25)27)22-16-32-33(17-22)18-35-2;1-16-20(27(35)31-13-17-10-25(28)33-26(29)11-17)4-3-5-23(16)36-24-8-9-30-22-12-18(6-7-21(22)24)19-14-32-34(2)15-19/h2-12,19,21-22H,13-18,20H2,1H3,(H,35,39);4-14,17,19-20H,15-16,18H2,1-3H3,(H,33,37);4-14,16-17H,3,15H2,1-2H3,(H,32,35);4-14,16-17H,15H2,1-3H3,(H,31,34);3-14,16-17H,15,18H2,1-2H3,(H,31,34);3-12,14-15H,13H2,1-2H3,(H,31,35)
InChIKeyHUGJWMIEKPWYIB-UHFFFAOYSA-N
XLogP31.16
TPSA525.75 Ų
H-Bond Donors6
H-Bond Acceptors41
Rotatable Bonds46
Heavy Atoms223
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002981.36
LogP ≤ 531.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methyl-3-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxybenzamide;3-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-(1-ethylpyrazol-4-yl)-5-fluoroquinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[5-methoxy-7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-[1-(methoxymethyl)pyrazol-4-yl]quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]quinolin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide with MolForge

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Related Compounds

tris[4-[[5-[5-fluoro-4-methoxy-2-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-1,2-dimethylpyrrole-3-carbonyl]-(1-methylpyrazol-4-yl)amino]phenyl] phosphate
CID 117831214
N-[3-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[3-(dimethylamino)propoxy]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(3-morpholin-4-ylpropoxy)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]benzamide;methane
CID 157399088
9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-3,8,10,11-tetrahydroindazolo[5,4-c][2,7]naphthyridine;N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxamide;7-(5-methyl-1H-pyrazol-4-yl)-3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaene;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-9-amine
CID 157734643
N-[6-methoxy-2-[1-[2-[2-[2-[2-(4-methylidene-2-oxocyclohexyl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethyl]piperidin-4-yl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-methoxy-2-[1-[2-[2-[2-[[2-(4-methylidene-2-oxocyclohexyl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-methoxy-2-[1-[2-[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethyl]piperidin-4-yl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;N-[6-methoxy-2-[1-[2-[2-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethoxy]ethyl]piperidin-4-yl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 157953299
(2S)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydroquinoxaline-6-carbonitrile;(2S)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;(2R)-1,2-dimethyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;N-methyl-5-[4-methyl-1-propan-2-yl-7-(trifluoromethyl)-2,3-dihydroquinoxalin-6-yl]pyridine-2-carboxamide;1-methyl-7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydroquinoxaline;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine-6-carbonitrile;7-(1-methylpyrazol-4-yl)-4-propan-2-yl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine
CID 158022688
(4R)-4-[(1R)-1-[7-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1-propylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 158069813
3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-N-(3,5-dimethoxyphenyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-amine;2-(3,5-dimethoxy-2-methyl-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N'-[3-methoxy-5-[(2-methylpropan-2-yl)oxy]phenyl]-N-propan-2-yl-N'-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]ethane-1,2-diamine
CID 158617729
(4R)-4-[(1R)-1-[7-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[3-methoxy-4-(trifluoromethyl)phenyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 158687562
3-[2-aminoethyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[2-(2,5-dimethoxy-N-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethyl]isoindole-1,3-dione;N'-(2,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine;N'-(2,5-dimethoxyphenyl)-N'-[3-[1-(oxan-2-yl)pyrazol-4-yl]quinoxalin-6-yl]ethane-1,2-diamine
CID 158903443
2-[[7-[4-[[acetyl(ethyl)amino]methyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(6-morpholin-4-yl-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[5-(trifluoromethyl)-2-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 159007904
1-[7-[(6-Cyclopropyl-3-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-7-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-7-[(2-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[8-fluoro-7-[(6-methoxy-3-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[3-(trifluoromethyl)piperidin-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinoline-2-carboxamide
CID 159185563
4-ethenyl-2-methoxy-5-[[2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]pyridine;5-[[2-(2-ethylpyrazol-3-yl)-3-pyridinyl]methoxy]-2-(2-methoxyethoxy)pyridine-4-carbaldehyde;2-methyl-6-[[(2R)-1-phenylpyrrolidin-2-yl]methoxy]benzaldehyde;2-oxo-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]-1H-pyridine-4-carbaldehyde;2-(2-piperidin-1-ylethoxy)-5-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-4-carbaldehyde
CID 159278460

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methyl-3-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxybenzamide;3-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-(1-ethylpyrazol-4-yl)-5-fluoroquinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[5-methoxy-7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-[1-(methoxymethyl)pyrazol-4-yl]quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]quinolin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methyl-3-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxybenzamide;3-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-(1-ethylpyrazol-4-yl)-5-fluoroquinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[5-methoxy-7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-[1-(methoxymethyl)pyrazol-4-yl]quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]quinolin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide (CID 167585850) is N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methyl-3-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxybenzamide;3-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-(1-ethylpyrazol-4-yl)-5-fluoroquinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[5-methoxy-7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-[1-(methoxymethyl)pyrazol-4-yl]quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]quinolin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methyl-3-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxybenzamide;3-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-(1-ethylpyrazol-4-yl)-5-fluoroquinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[5-methoxy-7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-[1-(methoxymethyl)pyrazol-4-yl]quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]quinolin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methyl-3-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxybenzamide;3-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-(1-ethylpyrazol-4-yl)-5-fluoroquinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[5-methoxy-7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-[1-(methoxymethyl)pyrazol-4-yl]quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]quinolin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide is CCn1cc(-c2cc(F)c3c(Oc4cccc(C(=O)NCc5ccncc5)c4C)ccnc3c2)cn1.COCn1cc(-c2ccc3c(Oc4cccc(C(=O)NCc5ccncc5)c4C)ccnc3c2)cn1.COc1cc(-c2cnn(C)c2)cc2nccc(Oc3cccc(C(=O)NCc4ccncc4)c3C)c12.Cc1c(Oc2ccnc3cc(-c4cnn(C)c4)ccc23)cccc1C(=O)NCc1cc(F)nc(F)c1.Cc1c(Oc2ccnc3cc(-c4cnn(CCN(C)C)c4)ccc23)cccc1C(=O)NCc1ccncc1.Cc1c(Oc2ccnc3cc(-c4cnn(CCN5CCOCC5)c4)ccc23)cccc1C(=O)NCc1ccncc1.
What is the InChIKey of N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methyl-3-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxybenzamide;3-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-(1-ethylpyrazol-4-yl)-5-fluoroquinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[5-methoxy-7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-[1-(methoxymethyl)pyrazol-4-yl]quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]quinolin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is HUGJWMIEKPWYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6O3.C30H30N6O2.C28H24FN5O2.2C28H25N5O3.C27H21F2N5O2/c1-23-27(32(39)35-20-24-7-10-33-11-8-24)3-2-4-30(23)41-31-9-12-34-29-19-25(5-6-28(29)31)26-21-36-38(22-26)14-13-37-15-17-40-18-16-37;1-21-25(30(37)33-18-22-9-12-31-13-10-22)5-4-6-28(21)38-29-11-14-32-27-17-23(7-8-26(27)29)24-19-34-36(20-24)16-15-35(2)3;1-3-34-17-21(16-33-34)20-13-23(29)27-24(14-20)31-12-9-26(27)36-25-6-4-5-22(18(25)2)28(35)32-15-19-7-10-30-11-8-19;1-18-22(28(34)31-15-19-7-10-29-11-8-19)5-4-6-24(18)36-25-9-12-30-23-13-20(14-26(35-3)27(23)25)21-16-32-33(2)17-21;1-19-23(28(34)31-15-20-8-11-29-12-9-20)4-3-5-26(19)36-27-10-13-30-25-14-21(6-7-24(25)27)22-16-32-33(17-22)18-35-2;1-16-20(27(35)31-13-17-10-25(28)33-26(29)11-17)4-3-5-23(16)36-24-8-9-30-22-12-18(6-7-21(22)24)19-14-32-34(2)15-19/h2-12,19,21-22H,13-18,20H2,1H3,(H,35,39);4-14,17,19-20H,15-16,18H2,1-3H3,(H,33,37);4-14,16-17H,3,15H2,1-2H3,(H,32,35);4-14,16-17H,15H2,1-3H3,(H,31,34);3-14,16-17H,15,18H2,1-2H3,(H,31,34);3-12,14-15H,13H2,1-2H3,(H,31,35).
What are the key properties of N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methyl-3-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxybenzamide;3-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-(1-ethylpyrazol-4-yl)-5-fluoroquinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[5-methoxy-7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-[1-(methoxymethyl)pyrazol-4-yl]quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]quinolin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide?
N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methyl-3-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxybenzamide;3-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-(1-ethylpyrazol-4-yl)-5-fluoroquinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[5-methoxy-7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-[1-(methoxymethyl)pyrazol-4-yl]quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]quinolin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 2981.36 g/mol, XLogP of 31.16, 46 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluoro-4-pyridinyl)methyl]-2-methyl-3-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxybenzamide;3-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-(1-ethylpyrazol-4-yl)-5-fluoroquinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[5-methoxy-7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;3-[7-[1-(methoxymethyl)pyrazol-4-yl]quinolin-4-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]quinolin-4-yl]oxy-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 167585850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).