1-[4-[4-[2-(difluoromethyl)-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[2,6-difluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2,3,6,7-tetrahydroazepin-1-yl]prop-2-en-1-one;1-[4-[5-fluoro-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[5-methoxy-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[3-methyl-4-(1-methylindol-6-yl)oxyanilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]-6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-naphthyridine-3-carbonitrile;1-[5-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-2,5-dihydropyrrol-1-yl]prop-2-en-1-one;1-[4-[4-[[5-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-pyridinyl]amino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one

C287H242F6N78O21 — CID 167571113

IUPAC1-[4-[4-[2-(difluoromethyl)-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[2,6-difluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2,3,6,7-tetrahydroazepin-1-yl]prop-2-en-1-one;1-[4-[5-fluoro-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[5-methoxy-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[3-methyl-4-(1-methylindol-6-yl)oxyanilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]-6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-naphthyridine-3-carbonitrile;1-[5-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-2,5-dihydropyrrol-1-yl]prop-2-en-1-one;1-[4-[4-[[5-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-pyridinyl]amino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CC=C(c2ccc3ncc(C#N)c(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3n2)CC1.C=CC(=O)N1CC=C(c2ccc3ncnc(Nc4c(F)cc(Oc5ccn6ncnc6c5)c(C)c4F)c3n2)CC1.C=CC(=O)N1CC=C(c2ccc3ncnc(Nc4cc(C)c(Oc5ccn6ncnc6c5)cc4C(F)F)c3n2)CC1.C=CC(=O)N1CC=C(c2ccc3ncnc(Nc4ccc(Oc5ccc6ccn(C)c6c5)c(C)c4)c3n2)CC1.C=CC(=O)N1CC=C(c2ccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3c2F)CC1.C=CC(=O)N1CC=C(c2ccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3c2OC)CC1.C=CC(=O)N1CC=C(c2ccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3n2)C1.C=CC(=O)N1CC=C(c2ccc3ncnc(Nc4cnc(Oc5ccn6ncnc6c5)c(C)c4)c3n2)CC1.C=CC(=O)N1CCC=C(c2ccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3n2)C1.C=CC(=O)N1CCC=C(c2ncc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4F)c3n2)CC1
InChIInChI=1S/C31H28N6O2.C30H24N8O2.C30H27N7O3.C29H24F2N8O2.C29H24FN7O2.C28H22F2N8O2.C28H24FN9O2.C28H24N8O2.C27H23N9O2.C27H22N8O2/c1-4-29(38)37-15-12-21(13-16-37)25-8-9-26-30(35-25)31(33-19-32-26)34-23-6-10-28(20(2)17-23)39-24-7-5-22-11-14-36(3)27(22)18-24;1-3-28(39)37-11-8-20(9-12-37)24-5-6-25-30(36-24)29(21(16-31)17-32-25)35-22-4-7-26(19(2)14-22)40-23-10-13-38-27(15-23)33-18-34-38;1-4-27(38)36-12-9-20(10-13-36)23-6-7-24-28(29(23)39-3)30(33-17-31-24)35-21-5-8-25(19(2)15-21)40-22-11-14-37-26(16-22)32-18-34-37;1-3-26(40)38-9-6-18(7-10-38)21-4-5-22-27(36-21)29(34-15-32-22)37-23-12-17(2)24(14-20(23)28(30)31)41-19-8-11-39-25(13-19)33-16-35-39;1-3-26(38)36-11-8-19(9-12-36)22-5-6-23-27(28(22)30)29(33-16-31-23)35-20-4-7-24(18(2)14-20)39-21-10-13-37-25(15-21)32-17-34-37;1-3-24(39)37-9-6-17(7-10-37)20-4-5-21-27(35-20)28(33-14-31-21)36-26-19(29)13-22(16(2)25(26)30)40-18-8-11-38-23(12-18)32-15-34-38;1-3-24(39)37-10-4-5-18(8-11-37)27-30-14-21-26(36-27)28(33-15-31-21)35-20-6-7-22(17(2)25(20)29)40-19-9-12-38-23(13-19)32-16-34-38;1-3-26(37)35-11-4-5-19(15-35)22-7-8-23-27(34-22)28(31-16-29-23)33-20-6-9-24(18(2)13-20)38-21-10-12-36-25(14-21)30-17-32-36;1-3-24(37)35-9-6-18(7-10-35)21-4-5-22-25(34-21)26(31-15-29-22)33-19-12-17(2)27(28-14-19)38-20-8-11-36-23(13-20)30-16-32-36;1-3-25(36)34-10-8-18(14-34)21-5-6-22-26(33-21)27(30-15-28-22)32-19-4-7-23(17(2)12-19)37-20-9-11-35-24(13-20)29-16-31-35/h4-12,14,17-19H,1,13,15-16H2,2-3H3,(H,32,33,34);3-8,10,13-15,17-18H,1,9,11-12H2,2H3,(H,32,35);4-9,11,14-18H,1,10,12-13H2,2-3H3,(H,31,33,35);3-6,8,11-16,28H,1,7,9-10H2,2H3,(H,32,34,37);3-8,10,13-17H,1,9,11-12H2,2H3,(H,31,33,35);3-6,8,11-15H,1,7,9-10H2,2H3,(H,31,33,36);3,5-7,9,12-16H,1,4,8,10-11H2,2H3,(H,31,33,35);3,5-10,12-14,16-17H,1,4,11,15H2,2H3,(H,29,31,33);3-6,8,11-16H,1,7,9-10H2,2H3,(H,29,31,33);3-9,11-13,15-16H,1,10,14H2,2H3,(H,28,30,32)
InChIKeyFXORSRMBFHNJDU-UHFFFAOYSA-N
MW5233.61 g/mol
LogP50.56
Rot. Bonds62

About 1-[4-[4-[2-(difluoromethyl)-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[2,6-difluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2,3,6,7-tetrahydroazepin-1-yl]prop-2-en-1-one;1-[4-[5-fluoro-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[5-methoxy-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[3-methyl-4-(1-methylindol-6-yl)oxyanilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]-6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-naphthyridine-3-carbonitrile;1-[5-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-2,5-dihydropyrrol-1-yl]prop-2-en-1-one;1-[4-[4-[[5-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-pyridinyl]amino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one

1-[4-[4-[2-(difluoromethyl)-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[2,6-difluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2,3,6,7-tetrahydroazepin-1-yl]prop-2-en-1-one;1-[4-[5-fluoro-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[5-methoxy-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[3-methyl-4-(1-methylindol-6-yl)oxyanilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]-6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-naphthyridine-3-carbonitrile;1-[5-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-2,5-dihydropyrrol-1-yl]prop-2-en-1-one;1-[4-[4-[[5-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-pyridinyl]amino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one (PubChem CID 167571113) has the molecular formula C287H242F6N78O21 and a molecular weight of 5233.61 g/mol. Its IUPAC name is 1-[4-[4-[2-(difluoromethyl)-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[2,6-difluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2,3,6,7-tetrahydroazepin-1-yl]prop-2-en-1-one;1-[4-[5-fluoro-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[5-methoxy-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[3-methyl-4-(1-methylindol-6-yl)oxyanilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]-6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-naphthyridine-3-carbonitrile;1-[5-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-2,5-dihydropyrrol-1-yl]prop-2-en-1-one;1-[4-[4-[[5-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-pyridinyl]amino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-[4-[2-(difluoromethyl)-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[2,6-difluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2,3,6,7-tetrahydroazepin-1-yl]prop-2-en-1-one;1-[4-[5-fluoro-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[5-methoxy-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[3-methyl-4-(1-methylindol-6-yl)oxyanilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]-6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-naphthyridine-3-carbonitrile;1-[5-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-2,5-dihydropyrrol-1-yl]prop-2-en-1-one;1-[4-[4-[[5-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-pyridinyl]amino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one
PubChem CID167571113
Molecular FormulaC287H242F6N78O21
Molecular Weight5233.61 g/mol
Exact Mass5230.02
IUPAC Name1-[4-[4-[2-(difluoromethyl)-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[2,6-difluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2,3,6,7-tetrahydroazepin-1-yl]prop-2-en-1-one;1-[4-[5-fluoro-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[5-methoxy-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[3-methyl-4-(1-methylindol-6-yl)oxyanilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]-6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-naphthyridine-3-carbonitrile;1-[5-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-2,5-dihydropyrrol-1-yl]prop-2-en-1-one;1-[4-[4-[[5-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-pyridinyl]amino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CC=C(c2ccc3ncc(C#N)c(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3n2)CC1.C=CC(=O)N1CC=C(c2ccc3ncnc(Nc4c(F)cc(Oc5ccn6ncnc6c5)c(C)c4F)c3n2)CC1.C=CC(=O)N1CC=C(c2ccc3ncnc(Nc4cc(C)c(Oc5ccn6ncnc6c5)cc4C(F)F)c3n2)CC1.C=CC(=O)N1CC=C(c2ccc3ncnc(Nc4ccc(Oc5ccc6ccn(C)c6c5)c(C)c4)c3n2)CC1.C=CC(=O)N1CC=C(c2ccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3c2F)CC1.C=CC(=O)N1CC=C(c2ccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3c2OC)CC1.C=CC(=O)N1CC=C(c2ccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3n2)C1.C=CC(=O)N1CC=C(c2ccc3ncnc(Nc4cnc(Oc5ccn6ncnc6c5)c(C)c4)c3n2)CC1.C=CC(=O)N1CCC=C(c2ccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3n2)C1.C=CC(=O)N1CCC=C(c2ncc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4F)c3n2)CC1
InChIInChI=1S/C31H28N6O2.C30H24N8O2.C30H27N7O3.C29H24F2N8O2.C29H24FN7O2.C28H22F2N8O2.C28H24FN9O2.C28H24N8O2.C27H23N9O2.C27H22N8O2/c1-4-29(38)37-15-12-21(13-16-37)25-8-9-26-30(35-25)31(33-19-32-26)34-23-6-10-28(20(2)17-23)39-24-7-5-22-11-14-36(3)27(22)18-24;1-3-28(39)37-11-8-20(9-12-37)24-5-6-25-30(36-24)29(21(16-31)17-32-25)35-22-4-7-26(19(2)14-22)40-23-10-13-38-27(15-23)33-18-34-38;1-4-27(38)36-12-9-20(10-13-36)23-6-7-24-28(29(23)39-3)30(33-17-31-24)35-21-5-8-25(19(2)15-21)40-22-11-14-37-26(16-22)32-18-34-37;1-3-26(40)38-9-6-18(7-10-38)21-4-5-22-27(36-21)29(34-15-32-22)37-23-12-17(2)24(14-20(23)28(30)31)41-19-8-11-39-25(13-19)33-16-35-39;1-3-26(38)36-11-8-19(9-12-36)22-5-6-23-27(28(22)30)29(33-16-31-23)35-20-4-7-24(18(2)14-20)39-21-10-13-37-25(15-21)32-17-34-37;1-3-24(39)37-9-6-17(7-10-37)20-4-5-21-27(35-20)28(33-14-31-21)36-26-19(29)13-22(16(2)25(26)30)40-18-8-11-38-23(12-18)32-15-34-38;1-3-24(39)37-10-4-5-18(8-11-37)27-30-14-21-26(36-27)28(33-15-31-21)35-20-6-7-22(17(2)25(20)29)40-19-9-12-38-23(13-19)32-16-34-38;1-3-26(37)35-11-4-5-19(15-35)22-7-8-23-27(34-22)28(31-16-29-23)33-20-6-9-24(18(2)13-20)38-21-10-12-36-25(14-21)30-17-32-36;1-3-24(37)35-9-6-18(7-10-35)21-4-5-22-25(34-21)26(31-15-29-22)33-19-12-17(2)27(28-14-19)38-20-8-11-36-23(13-20)30-16-32-36;1-3-25(36)34-10-8-18(14-34)21-5-6-22-26(33-21)27(30-15-28-22)32-19-4-7-23(17(2)12-19)37-20-9-11-35-24(13-20)29-16-31-35/h4-12,14,17-19H,1,13,15-16H2,2-3H3,(H,32,33,34);3-8,10,13-15,17-18H,1,9,11-12H2,2H3,(H,32,35);4-9,11,14-18H,1,10,12-13H2,2-3H3,(H,31,33,35);3-6,8,11-16,28H,1,7,9-10H2,2H3,(H,32,34,37);3-8,10,13-17H,1,9,11-12H2,2H3,(H,31,33,35);3-6,8,11-15H,1,7,9-10H2,2H3,(H,31,33,36);3,5-7,9,12-16H,1,4,8,10-11H2,2H3,(H,31,33,35);3,5-10,12-14,16-17H,1,4,11,15H2,2H3,(H,29,31,33);3-6,8,11-16H,1,7,9-10H2,2H3,(H,29,31,33);3-9,11-13,15-16H,1,10,14H2,2H3,(H,28,30,32)
InChIKeyFXORSRMBFHNJDU-UHFFFAOYSA-N
XLogP50.56
TPSA1099.17 Ų
H-Bond Donors10
H-Bond Acceptors89
Rotatable Bonds62
Heavy Atoms392
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005233.61
LogP ≤ 550.56
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1089

Analyze 1-[4-[4-[2-(difluoromethyl)-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[2,6-difluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2,3,6,7-tetrahydroazepin-1-yl]prop-2-en-1-one;1-[4-[5-fluoro-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[5-methoxy-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[3-methyl-4-(1-methylindol-6-yl)oxyanilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]-6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-naphthyridine-3-carbonitrile;1-[5-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-2,5-dihydropyrrol-1-yl]prop-2-en-1-one;1-[4-[4-[[5-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-pyridinyl]amino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[2-(difluoromethyl)-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[2,6-difluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2,3,6,7-tetrahydroazepin-1-yl]prop-2-en-1-one;1-[4-[5-fluoro-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[5-methoxy-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[3-methyl-4-(1-methylindol-6-yl)oxyanilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]-6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-naphthyridine-3-carbonitrile;1-[5-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-2,5-dihydropyrrol-1-yl]prop-2-en-1-one;1-[4-[4-[[5-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-pyridinyl]amino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-[4-[2-(difluoromethyl)-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[2,6-difluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2,3,6,7-tetrahydroazepin-1-yl]prop-2-en-1-one;1-[4-[5-fluoro-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[5-methoxy-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[3-methyl-4-(1-methylindol-6-yl)oxyanilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]-6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-naphthyridine-3-carbonitrile;1-[5-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-2,5-dihydropyrrol-1-yl]prop-2-en-1-one;1-[4-[4-[[5-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-pyridinyl]amino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one (CID 167571113) is 1-[4-[4-[2-(difluoromethyl)-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[2,6-difluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2,3,6,7-tetrahydroazepin-1-yl]prop-2-en-1-one;1-[4-[5-fluoro-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[5-methoxy-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[3-methyl-4-(1-methylindol-6-yl)oxyanilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]-6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-naphthyridine-3-carbonitrile;1-[5-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-2,5-dihydropyrrol-1-yl]prop-2-en-1-one;1-[4-[4-[[5-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-pyridinyl]amino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-[4-[2-(difluoromethyl)-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[2,6-difluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2,3,6,7-tetrahydroazepin-1-yl]prop-2-en-1-one;1-[4-[5-fluoro-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[5-methoxy-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[3-methyl-4-(1-methylindol-6-yl)oxyanilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]-6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-naphthyridine-3-carbonitrile;1-[5-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-2,5-dihydropyrrol-1-yl]prop-2-en-1-one;1-[4-[4-[[5-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-pyridinyl]amino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-[4-[2-(difluoromethyl)-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[2,6-difluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2,3,6,7-tetrahydroazepin-1-yl]prop-2-en-1-one;1-[4-[5-fluoro-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[5-methoxy-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[3-methyl-4-(1-methylindol-6-yl)oxyanilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]-6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-naphthyridine-3-carbonitrile;1-[5-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-2,5-dihydropyrrol-1-yl]prop-2-en-1-one;1-[4-[4-[[5-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-pyridinyl]amino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one is C=CC(=O)N1CC=C(c2ccc3ncc(C#N)c(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3n2)CC1.C=CC(=O)N1CC=C(c2ccc3ncnc(Nc4c(F)cc(Oc5ccn6ncnc6c5)c(C)c4F)c3n2)CC1.C=CC(=O)N1CC=C(c2ccc3ncnc(Nc4cc(C)c(Oc5ccn6ncnc6c5)cc4C(F)F)c3n2)CC1.C=CC(=O)N1CC=C(c2ccc3ncnc(Nc4ccc(Oc5ccc6ccn(C)c6c5)c(C)c4)c3n2)CC1.C=CC(=O)N1CC=C(c2ccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3c2F)CC1.C=CC(=O)N1CC=C(c2ccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3c2OC)CC1.C=CC(=O)N1CC=C(c2ccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3n2)C1.C=CC(=O)N1CC=C(c2ccc3ncnc(Nc4cnc(Oc5ccn6ncnc6c5)c(C)c4)c3n2)CC1.C=CC(=O)N1CCC=C(c2ccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3n2)C1.C=CC(=O)N1CCC=C(c2ncc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4F)c3n2)CC1.
What is the InChIKey of 1-[4-[4-[2-(difluoromethyl)-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[2,6-difluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2,3,6,7-tetrahydroazepin-1-yl]prop-2-en-1-one;1-[4-[5-fluoro-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[5-methoxy-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[3-methyl-4-(1-methylindol-6-yl)oxyanilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]-6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-naphthyridine-3-carbonitrile;1-[5-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-2,5-dihydropyrrol-1-yl]prop-2-en-1-one;1-[4-[4-[[5-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-pyridinyl]amino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one?
The InChIKey is FXORSRMBFHNJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N6O2.C30H24N8O2.C30H27N7O3.C29H24F2N8O2.C29H24FN7O2.C28H22F2N8O2.C28H24FN9O2.C28H24N8O2.C27H23N9O2.C27H22N8O2/c1-4-29(38)37-15-12-21(13-16-37)25-8-9-26-30(35-25)31(33-19-32-26)34-23-6-10-28(20(2)17-23)39-24-7-5-22-11-14-36(3)27(22)18-24;1-3-28(39)37-11-8-20(9-12-37)24-5-6-25-30(36-24)29(21(16-31)17-32-25)35-22-4-7-26(19(2)14-22)40-23-10-13-38-27(15-23)33-18-34-38;1-4-27(38)36-12-9-20(10-13-36)23-6-7-24-28(29(23)39-3)30(33-17-31-24)35-21-5-8-25(19(2)15-21)40-22-11-14-37-26(16-22)32-18-34-37;1-3-26(40)38-9-6-18(7-10-38)21-4-5-22-27(36-21)29(34-15-32-22)37-23-12-17(2)24(14-20(23)28(30)31)41-19-8-11-39-25(13-19)33-16-35-39;1-3-26(38)36-11-8-19(9-12-36)22-5-6-23-27(28(22)30)29(33-16-31-23)35-20-4-7-24(18(2)14-20)39-21-10-13-37-25(15-21)32-17-34-37;1-3-24(39)37-9-6-17(7-10-37)20-4-5-21-27(35-20)28(33-14-31-21)36-26-19(29)13-22(16(2)25(26)30)40-18-8-11-38-23(12-18)32-15-34-38;1-3-24(39)37-10-4-5-18(8-11-37)27-30-14-21-26(36-27)28(33-15-31-21)35-20-6-7-22(17(2)25(20)29)40-19-9-12-38-23(13-19)32-16-34-38;1-3-26(37)35-11-4-5-19(15-35)22-7-8-23-27(34-22)28(31-16-29-23)33-20-6-9-24(18(2)13-20)38-21-10-12-36-25(14-21)30-17-32-36;1-3-24(37)35-9-6-18(7-10-35)21-4-5-22-25(34-21)26(31-15-29-22)33-19-12-17(2)27(28-14-19)38-20-8-11-36-23(13-20)30-16-32-36;1-3-25(36)34-10-8-18(14-34)21-5-6-22-26(33-21)27(30-15-28-22)32-19-4-7-23(17(2)12-19)37-20-9-11-35-24(13-20)29-16-31-35/h4-12,14,17-19H,1,13,15-16H2,2-3H3,(H,32,33,34);3-8,10,13-15,17-18H,1,9,11-12H2,2H3,(H,32,35);4-9,11,14-18H,1,10,12-13H2,2-3H3,(H,31,33,35);3-6,8,11-16,28H,1,7,9-10H2,2H3,(H,32,34,37);3-8,10,13-17H,1,9,11-12H2,2H3,(H,31,33,35);3-6,8,11-15H,1,7,9-10H2,2H3,(H,31,33,36);3,5-7,9,12-16H,1,4,8,10-11H2,2H3,(H,31,33,35);3,5-10,12-14,16-17H,1,4,11,15H2,2H3,(H,29,31,33);3-6,8,11-16H,1,7,9-10H2,2H3,(H,29,31,33);3-9,11-13,15-16H,1,10,14H2,2H3,(H,28,30,32).
What are the key properties of 1-[4-[4-[2-(difluoromethyl)-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[2,6-difluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2,3,6,7-tetrahydroazepin-1-yl]prop-2-en-1-one;1-[4-[5-fluoro-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[5-methoxy-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[3-methyl-4-(1-methylindol-6-yl)oxyanilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]-6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-naphthyridine-3-carbonitrile;1-[5-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-2,5-dihydropyrrol-1-yl]prop-2-en-1-one;1-[4-[4-[[5-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-pyridinyl]amino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one?
1-[4-[4-[2-(difluoromethyl)-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[2,6-difluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2,3,6,7-tetrahydroazepin-1-yl]prop-2-en-1-one;1-[4-[5-fluoro-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[5-methoxy-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[3-methyl-4-(1-methylindol-6-yl)oxyanilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]-6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-naphthyridine-3-carbonitrile;1-[5-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-2,5-dihydropyrrol-1-yl]prop-2-en-1-one;1-[4-[4-[[5-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-pyridinyl]amino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one has a molecular weight of 5233.61 g/mol, XLogP of 50.56, 62 rotatable bonds, 10 hydrogen bond donors, and 89 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[2-(difluoromethyl)-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[2,6-difluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-2,3,6,7-tetrahydroazepin-1-yl]prop-2-en-1-one;1-[4-[5-fluoro-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[5-methoxy-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[4-[4-[3-methyl-4-(1-methylindol-6-yl)oxyanilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]-6-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-naphthyridine-3-carbonitrile;1-[5-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one;1-[3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrido[3,2-d]pyrimidin-6-yl]-2,5-dihydropyrrol-1-yl]prop-2-en-1-one;1-[4-[4-[[5-methyl-6-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-pyridinyl]amino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 167571113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).