5-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide;8-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-2-[(3-fluoro-4-methylphenyl)methyl]-3,4-dihydro-2,7-naphthyridin-1-one;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide

C143H126F5N31O8S4 — CID 161009726

IUPAC5-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide;8-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-2-[(3-fluoro-4-methylphenyl)methyl]-3,4-dihydro-2,7-naphthyridin-1-one;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide
SMILESCCOc1cnc(NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)c(C(=O)NCc2ccc(C)c(F)c2)c1.Cc1cc([C@H](C)n2cnc3ccnc(NCc4ccc(-c5cc6c(N)ncnc6cn5)s4)c3c2=O)ccc1F.Cc1ccc(CN2CCc3ccnc(NCc4ccc(-c5ccc6ncnc(N)c6c5)s4)c3C2=O)cc1F.Cc1ccc(CNC(=O)c2cccnc2N[C@@H](COc2ccc3[nH]c(=O)[nH]c3c2)c2ccccc2)cc1F.Cc1ccc([C@H](C)NC(=O)c2cccnc2NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)cc1F
InChIInChI=1S/C29H27FN6O2S.C29H25FN6OS.C29H26FN5O3.C28H23FN8OS.C28H25FN6OS/c1-3-38-20-12-23(29(37)34-13-18-5-4-17(2)24(30)10-18)28(32-14-20)33-15-21-7-9-26(39-21)19-6-8-25-22(11-19)27(31)36-16-35-25;1-17-2-3-18(12-23(17)30)15-36-11-9-19-8-10-32-28(26(19)29(36)37)33-14-21-5-7-25(38-21)20-4-6-24-22(13-20)27(31)35-16-34-24;1-18-9-10-19(14-23(18)30)16-32-28(36)22-8-5-13-31-27(22)33-26(20-6-3-2-4-7-20)17-38-21-11-12-24-25(15-21)35-29(37)34-24;1-15-9-17(3-5-20(15)29)16(2)37-14-36-21-7-8-31-27(25(21)28(37)38)33-11-18-4-6-24(39-18)22-10-19-23(12-32-22)34-13-35-26(19)30;1-16-5-6-18(13-23(16)29)17(2)35-28(36)21-4-3-11-31-27(21)32-14-20-8-10-25(37-20)19-7-9-24-22(12-19)26(30)34-15-33-24/h4-12,14,16H,3,13,15H2,1-2H3,(H,32,33)(H,34,37)(H2,31,35,36);2-8,10,12-13,16H,9,11,14-15H2,1H3,(H,32,33)(H2,31,34,35);2-15,26H,16-17H2,1H3,(H,31,33)(H,32,36)(H2,34,35,37);3-10,12-14,16H,11H2,1-2H3,(H,31,33)(H2,30,34,35);3-13,15,17H,14H2,1-2H3,(H,31,32)(H,35,36)(H2,30,33,34)/t;;26-;16-;17-/m..000/s1
InChIKeyTWYYVWMWBKCVNO-DKEWGAEPSA-N
MW2630.05 g/mol
LogP27.17
Rot. Bonds37

About 5-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide;8-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-2-[(3-fluoro-4-methylphenyl)methyl]-3,4-dihydro-2,7-naphthyridin-1-one;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide

5-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide;8-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-2-[(3-fluoro-4-methylphenyl)methyl]-3,4-dihydro-2,7-naphthyridin-1-one;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide (PubChem CID 161009726) has the molecular formula C143H126F5N31O8S4 and a molecular weight of 2630.05 g/mol. Its IUPAC name is 5-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide;8-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-2-[(3-fluoro-4-methylphenyl)methyl]-3,4-dihydro-2,7-naphthyridin-1-one;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide;8-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-2-[(3-fluoro-4-methylphenyl)methyl]-3,4-dihydro-2,7-naphthyridin-1-one;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide
PubChem CID161009726
Molecular FormulaC143H126F5N31O8S4
Molecular Weight2630.05 g/mol
Exact Mass2627.92
IUPAC Name5-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide;8-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-2-[(3-fluoro-4-methylphenyl)methyl]-3,4-dihydro-2,7-naphthyridin-1-one;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide
SMILESCCOc1cnc(NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)c(C(=O)NCc2ccc(C)c(F)c2)c1.Cc1cc([C@H](C)n2cnc3ccnc(NCc4ccc(-c5cc6c(N)ncnc6cn5)s4)c3c2=O)ccc1F.Cc1ccc(CN2CCc3ccnc(NCc4ccc(-c5ccc6ncnc(N)c6c5)s4)c3C2=O)cc1F.Cc1ccc(CNC(=O)c2cccnc2N[C@@H](COc2ccc3[nH]c(=O)[nH]c3c2)c2ccccc2)cc1F.Cc1ccc([C@H](C)NC(=O)c2cccnc2NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)cc1F
InChIInChI=1S/C29H27FN6O2S.C29H25FN6OS.C29H26FN5O3.C28H23FN8OS.C28H25FN6OS/c1-3-38-20-12-23(29(37)34-13-18-5-4-17(2)24(30)10-18)28(32-14-20)33-15-21-7-9-26(39-21)19-6-8-25-22(11-19)27(31)36-16-35-25;1-17-2-3-18(12-23(17)30)15-36-11-9-19-8-10-32-28(26(19)29(36)37)33-14-21-5-7-25(38-21)20-4-6-24-22(13-20)27(31)35-16-34-24;1-18-9-10-19(14-23(18)30)16-32-28(36)22-8-5-13-31-27(22)33-26(20-6-3-2-4-7-20)17-38-21-11-12-24-25(15-21)35-29(37)34-24;1-15-9-17(3-5-20(15)29)16(2)37-14-36-21-7-8-31-27(25(21)28(37)38)33-11-18-4-6-24(39-18)22-10-19-23(12-32-22)34-13-35-26(19)30;1-16-5-6-18(13-23(16)29)17(2)35-28(36)21-4-3-11-31-27(21)32-14-20-8-10-25(37-20)19-7-9-24-22(12-19)26(30)34-15-33-24/h4-12,14,16H,3,13,15H2,1-2H3,(H,32,33)(H,34,37)(H2,31,35,36);2-8,10,12-13,16H,9,11,14-15H2,1H3,(H,32,33)(H2,31,34,35);2-15,26H,16-17H2,1H3,(H,31,33)(H,32,36)(H2,34,35,37);3-10,12-14,16H,11H2,1-2H3,(H,31,33)(H2,30,34,35);3-13,15,17H,14H2,1-2H3,(H,31,32)(H,35,36)(H2,30,33,34)/t;;26-;16-;17-/m..000/s1
InChIKeyTWYYVWMWBKCVNO-DKEWGAEPSA-N
XLogP27.17
TPSA554.30 Ų
H-Bond Donors14
H-Bond Acceptors37
Rotatable Bonds37
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002630.05
LogP ≤ 527.17
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1037

Analyze 5-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide;8-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-2-[(3-fluoro-4-methylphenyl)methyl]-3,4-dihydro-2,7-naphthyridin-1-one;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide with MolForge

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Related Compounds

2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-[2-[1-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-7-[(3,4-difluorophenyl)methyl]-8-oxo-5,6-dihydro-2,7-naphthyridin-3-yl]ethoxy]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 135243166
2-[[5-(4-amino-7H-cyclopenta[d]pyrimidin-5-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide;5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 157109777
(Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylprop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylprop-2-enamide
CID 157379363
N,N-bis[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N,N-bis[3-[2-(2,6-dimethylphenyl)thieno[3,2-c]pyridin-4-yl]-5-phenylbenzene-2-id-1-yl]-2,4-dimethylpyridin-3-amine;N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-3-phenyl-N-(2-phenylphenyl)-5-[2-(4-phenylphenyl)furo[3,2-c]pyridin-4-yl]benzene-6-id-1-amine;tetrakis(platinum(2+))
CID 157550492
2-[[5-(4-amino-7H-cyclopenta[d]pyrimidin-5-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;5-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide;2-[[5-[4-(cyclopropylamino)quinazolin-6-yl]thiophen-2-yl]methylamino]-N-[(4-fluoro-3-methylphenyl)methyl]pyridine-3-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 157579755
(4R)-4-[(1R)-1-[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3-methylimidazo[4,5-b]pyridin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 157750123
2-[[5-(4-amino-7H-cyclopenta[d]pyrimidin-5-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[2-[4-(7H-cyclopenta[b]pyridin-5-yl)-2-pyridinyl]ethyl]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-[4-(cyclopropylamino)quinazolin-6-yl]thiophen-2-yl]methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 157868405
(4R)-4-[(1R)-1-[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(2-methyl-1,3-benzothiazol-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 158744610
2-[[5-(4-amino-7H-cyclopenta[d]pyrimidin-5-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide;2-[2-[4-(7H-cyclopenta[b]pyridin-5-yl)-2-pyridinyl]ethyl]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-[4-(cyclopropylamino)quinazolin-6-yl]thiophen-2-yl]methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[2-[[(1Z)-2-oxo-1-(3H-pyrrol-4-ylmethylidene)-3H-inden-5-yl]oxy]ethylamino]pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]amino]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 159145003
3-[[4-(1-benzofuran-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]-N-[3-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-[(4-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 159452581
2-[[7-[6-(2,2-difluoropropoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2,4-dimethylquinazolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 159583714
(4R)-4-[(1R)-1-[7-[6-(difluoromethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(1,2-dimethylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(1,2-dimethylbenzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(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
CID 159911479

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide;8-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-2-[(3-fluoro-4-methylphenyl)methyl]-3,4-dihydro-2,7-naphthyridin-1-one;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide?
The IUPAC name of 5-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide;8-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-2-[(3-fluoro-4-methylphenyl)methyl]-3,4-dihydro-2,7-naphthyridin-1-one;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide (CID 161009726) is 5-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide;8-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-2-[(3-fluoro-4-methylphenyl)methyl]-3,4-dihydro-2,7-naphthyridin-1-one;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide;8-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-2-[(3-fluoro-4-methylphenyl)methyl]-3,4-dihydro-2,7-naphthyridin-1-one;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 5-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide;8-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-2-[(3-fluoro-4-methylphenyl)methyl]-3,4-dihydro-2,7-naphthyridin-1-one;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide is CCOc1cnc(NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)c(C(=O)NCc2ccc(C)c(F)c2)c1.Cc1cc([C@H](C)n2cnc3ccnc(NCc4ccc(-c5cc6c(N)ncnc6cn5)s4)c3c2=O)ccc1F.Cc1ccc(CN2CCc3ccnc(NCc4ccc(-c5ccc6ncnc(N)c6c5)s4)c3C2=O)cc1F.Cc1ccc(CNC(=O)c2cccnc2N[C@@H](COc2ccc3[nH]c(=O)[nH]c3c2)c2ccccc2)cc1F.Cc1ccc([C@H](C)NC(=O)c2cccnc2NCc2ccc(-c3ccc4ncnc(N)c4c3)s2)cc1F.
What is the InChIKey of 5-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide;8-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-2-[(3-fluoro-4-methylphenyl)methyl]-3,4-dihydro-2,7-naphthyridin-1-one;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide?
The InChIKey is TWYYVWMWBKCVNO-DKEWGAEPSA-N. The full InChI is InChI=1S/C29H27FN6O2S.C29H25FN6OS.C29H26FN5O3.C28H23FN8OS.C28H25FN6OS/c1-3-38-20-12-23(29(37)34-13-18-5-4-17(2)24(30)10-18)28(32-14-20)33-15-21-7-9-26(39-21)19-6-8-25-22(11-19)27(31)36-16-35-25;1-17-2-3-18(12-23(17)30)15-36-11-9-19-8-10-32-28(26(19)29(36)37)33-14-21-5-7-25(38-21)20-4-6-24-22(13-20)27(31)35-16-34-24;1-18-9-10-19(14-23(18)30)16-32-28(36)22-8-5-13-31-27(22)33-26(20-6-3-2-4-7-20)17-38-21-11-12-24-25(15-21)35-29(37)34-24;1-15-9-17(3-5-20(15)29)16(2)37-14-36-21-7-8-31-27(25(21)28(37)38)33-11-18-4-6-24(39-18)22-10-19-23(12-32-22)34-13-35-26(19)30;1-16-5-6-18(13-23(16)29)17(2)35-28(36)21-4-3-11-31-27(21)32-14-20-8-10-25(37-20)19-7-9-24-22(12-19)26(30)34-15-33-24/h4-12,14,16H,3,13,15H2,1-2H3,(H,32,33)(H,34,37)(H2,31,35,36);2-8,10,12-13,16H,9,11,14-15H2,1H3,(H,32,33)(H2,31,34,35);2-15,26H,16-17H2,1H3,(H,31,33)(H,32,36)(H2,34,35,37);3-10,12-14,16H,11H2,1-2H3,(H,31,33)(H2,30,34,35);3-13,15,17H,14H2,1-2H3,(H,31,32)(H,35,36)(H2,30,33,34)/t;;26-;16-;17-/m..000/s1.
What are the key properties of 5-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide;8-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-2-[(3-fluoro-4-methylphenyl)methyl]-3,4-dihydro-2,7-naphthyridin-1-one;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide?
5-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide;8-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-2-[(3-fluoro-4-methylphenyl)methyl]-3,4-dihydro-2,7-naphthyridin-1-one;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide has a molecular weight of 2630.05 g/mol, XLogP of 27.17, 37 rotatable bonds, 14 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-5-ethoxy-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide;2-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide;8-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-2-[(3-fluoro-4-methylphenyl)methyl]-3,4-dihydro-2,7-naphthyridin-1-one;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[(1R)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-1-phenylethyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 161009726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).