(1S,3R,5S)-8-(2,2-difluoroethyl)-3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-5-yl]oxy-8-azabicyclo[3.2.1]octan-1-ol;5-[[(2R)-4,4-difluoro-1-methylpiperidin-2-yl]methoxy]-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(4,4-difluoro-1-methylpiperidin-3-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3-fluoro-1-methylpiperidin-4-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine

C170H165F11N42O17 — CID 167666020

IUPAC(1S,3R,5S)-8-(2,2-difluoroethyl)-3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-5-yl]oxy-8-azabicyclo[3.2.1]octan-1-ol;5-[[(2R)-4,4-difluoro-1-methylpiperidin-2-yl]methoxy]-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(4,4-difluoro-1-methylpiperidin-3-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3-fluoro-1-methylpiperidin-4-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
SMILESCOc1cc(O[C@H]2CCN(C)CC2(F)F)c2c(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)ncnc2c1.COc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2c1OC1CCN(C)CC1F.COc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2c1OC1CN(C)CCC1(F)F.COc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2c1OC[C@H]1CC(F)(F)CCN1C.Cc1cc(Nc2ncnc3cccc(OC4CCN(C)CC4(F)F)c23)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnc3cccc(O[C@@H]4C[C@@H]5CC[C@](O)(C4)N5CC(F)F)c23)ccc1Oc1ccn2ncnc2c1
InChIInChI=1S/C30H29F2N7O3.C29H29F2N7O3.2C28H27F2N7O3.C28H28FN7O3.C27H25F2N7O2/c1-18-11-19(5-6-24(18)41-21-8-10-39-27(13-21)34-17-36-39)37-29-28-23(33-16-35-29)3-2-4-25(28)42-22-12-20-7-9-30(40,14-22)38(20)15-26(31)32;1-18-12-19(4-6-23(18)41-21-8-10-38-25(13-21)33-17-35-38)36-28-26-22(32-16-34-28)5-7-24(39-3)27(26)40-15-20-14-29(30,31)9-11-37(20)2;1-17-12-18(4-6-21(17)39-19-8-10-37-24(13-19)32-16-34-37)35-27-25-20(31-15-33-27)5-7-22(38-3)26(25)40-23-14-36(2)11-9-28(23,29)30;1-17-10-18(4-5-22(17)39-19-6-9-37-25(13-19)32-16-34-37)35-27-26-21(31-15-33-27)11-20(38-3)12-23(26)40-24-7-8-36(2)14-28(24,29)30;1-17-12-18(4-6-22(17)38-19-8-11-36-25(13-19)31-16-33-36)34-28-26-21(30-15-32-28)5-7-24(37-3)27(26)39-23-9-10-35(2)14-20(23)29;1-17-12-18(6-7-21(17)37-19-8-11-36-24(13-19)31-16-33-36)34-26-25-20(30-15-32-26)4-3-5-22(25)38-23-9-10-35(2)14-27(23,28)29/h2-6,8,10-11,13,16-17,20,22,26,40H,7,9,12,14-15H2,1H3,(H,33,35,37);4-8,10,12-13,16-17,20H,9,11,14-15H2,1-3H3,(H,32,34,36);4-8,10,12-13,15-16,23H,9,11,14H2,1-3H3,(H,31,33,35);4-6,9-13,15-16,24H,7-8,14H2,1-3H3,(H,31,33,35);4-8,11-13,15-16,20,23H,9-10,14H2,1-3H3,(H,30,32,34);3-8,11-13,15-16,23H,9-10,14H2,1-2H3,(H,30,32,34)/t20-,22+,30-;20-;;24-;;/m01.0../s1
InChIKeySQOQZMUNWWWFFL-BIIJNINPSA-N
MW3277.44 g/mol
LogP31.78
Rot. Bonds43

About (1S,3R,5S)-8-(2,2-difluoroethyl)-3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-5-yl]oxy-8-azabicyclo[3.2.1]octan-1-ol;5-[[(2R)-4,4-difluoro-1-methylpiperidin-2-yl]methoxy]-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(4,4-difluoro-1-methylpiperidin-3-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3-fluoro-1-methylpiperidin-4-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine

(1S,3R,5S)-8-(2,2-difluoroethyl)-3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-5-yl]oxy-8-azabicyclo[3.2.1]octan-1-ol;5-[[(2R)-4,4-difluoro-1-methylpiperidin-2-yl]methoxy]-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(4,4-difluoro-1-methylpiperidin-3-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3-fluoro-1-methylpiperidin-4-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine (PubChem CID 167666020) has the molecular formula C170H165F11N42O17 and a molecular weight of 3277.44 g/mol. Its IUPAC name is (1S,3R,5S)-8-(2,2-difluoroethyl)-3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-5-yl]oxy-8-azabicyclo[3.2.1]octan-1-ol;5-[[(2R)-4,4-difluoro-1-methylpiperidin-2-yl]methoxy]-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(4,4-difluoro-1-methylpiperidin-3-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3-fluoro-1-methylpiperidin-4-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name(1S,3R,5S)-8-(2,2-difluoroethyl)-3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-5-yl]oxy-8-azabicyclo[3.2.1]octan-1-ol;5-[[(2R)-4,4-difluoro-1-methylpiperidin-2-yl]methoxy]-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(4,4-difluoro-1-methylpiperidin-3-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3-fluoro-1-methylpiperidin-4-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
PubChem CID167666020
Molecular FormulaC170H165F11N42O17
Molecular Weight3277.44 g/mol
Exact Mass3275.32
IUPAC Name(1S,3R,5S)-8-(2,2-difluoroethyl)-3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-5-yl]oxy-8-azabicyclo[3.2.1]octan-1-ol;5-[[(2R)-4,4-difluoro-1-methylpiperidin-2-yl]methoxy]-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(4,4-difluoro-1-methylpiperidin-3-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3-fluoro-1-methylpiperidin-4-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
SMILESCOc1cc(O[C@H]2CCN(C)CC2(F)F)c2c(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)ncnc2c1.COc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2c1OC1CCN(C)CC1F.COc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2c1OC1CN(C)CCC1(F)F.COc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2c1OC[C@H]1CC(F)(F)CCN1C.Cc1cc(Nc2ncnc3cccc(OC4CCN(C)CC4(F)F)c23)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnc3cccc(O[C@@H]4C[C@@H]5CC[C@](O)(C4)N5CC(F)F)c23)ccc1Oc1ccn2ncnc2c1
InChIInChI=1S/C30H29F2N7O3.C29H29F2N7O3.2C28H27F2N7O3.C28H28FN7O3.C27H25F2N7O2/c1-18-11-19(5-6-24(18)41-21-8-10-39-27(13-21)34-17-36-39)37-29-28-23(33-16-35-29)3-2-4-25(28)42-22-12-20-7-9-30(40,14-22)38(20)15-26(31)32;1-18-12-19(4-6-23(18)41-21-8-10-38-25(13-21)33-17-35-38)36-28-26-22(32-16-34-28)5-7-24(39-3)27(26)40-15-20-14-29(30,31)9-11-37(20)2;1-17-12-18(4-6-21(17)39-19-8-10-37-24(13-19)32-16-34-37)35-27-25-20(31-15-33-27)5-7-22(38-3)26(25)40-23-14-36(2)11-9-28(23,29)30;1-17-10-18(4-5-22(17)39-19-6-9-37-25(13-19)32-16-34-37)35-27-26-21(31-15-33-27)11-20(38-3)12-23(26)40-24-7-8-36(2)14-28(24,29)30;1-17-12-18(4-6-22(17)38-19-8-11-36-25(13-19)31-16-33-36)34-28-26-21(30-15-32-28)5-7-24(37-3)27(26)39-23-9-10-35(2)14-20(23)29;1-17-12-18(6-7-21(17)37-19-8-11-36-24(13-19)31-16-33-36)34-26-25-20(30-15-32-26)4-3-5-22(25)38-23-9-10-35(2)14-27(23,28)29/h2-6,8,10-11,13,16-17,20,22,26,40H,7,9,12,14-15H2,1H3,(H,33,35,37);4-8,10,12-13,16-17,20H,9,11,14-15H2,1-3H3,(H,32,34,36);4-8,10,12-13,15-16,23H,9,11,14H2,1-3H3,(H,31,33,35);4-6,9-13,15-16,24H,7-8,14H2,1-3H3,(H,31,33,35);4-8,11-13,15-16,20,23H,9-10,14H2,1-3H3,(H,30,32,34);3-8,11-13,15-16,23H,9-10,14H2,1-2H3,(H,30,32,34)/t20-,22+,30-;20-;;24-;;/m01.0../s1
InChIKeySQOQZMUNWWWFFL-BIIJNINPSA-N
XLogP31.78
TPSA595.35 Ų
H-Bond Donors7
H-Bond Acceptors59
Rotatable Bonds43
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003277.44
LogP ≤ 531.78
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1059

Analyze (1S,3R,5S)-8-(2,2-difluoroethyl)-3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-5-yl]oxy-8-azabicyclo[3.2.1]octan-1-ol;5-[[(2R)-4,4-difluoro-1-methylpiperidin-2-yl]methoxy]-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(4,4-difluoro-1-methylpiperidin-3-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3-fluoro-1-methylpiperidin-4-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-(oxolan-3-yloxy)quinazolin-4-amine
CID 146240741
5-(4,4-difluoro-1-methylpiperidin-3-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 146240742
5-[[(2R)-4,4-difluoro-1-methylpiperidin-2-yl]methoxy]-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 146241248
5-[(4,4-difluoro-1-methylpiperidin-2-yl)methoxy]-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 146250830
5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-6,7-dimethoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine
CID 146448658
3,3-difluoropiperidin-4-ol;1-ethyl-3,3-difluoropiperidin-4-ol;bis(5-(1-ethyl-3,3-difluoropiperidin-4-yl)oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine);5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methanol
CID 157087817
8-(1-cyclopropylpyrazol-4-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol;8-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol;8-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol;8-isoquinolin-6-yl-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol;8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol;8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol;8-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol;8-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-ol
CID 157162550
(2S)-1-benzyl-5,5-difluoro-2-methylpiperidin-4-ol;(2S)-5,5-difluoro-1,2-dimethylpiperidin-4-ol;5-[(2R,4R)-5,5-difluoro-1,2-dimethylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(2S,4S)-5,5-difluoro-1,2-dimethylpiperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(5,5-difluoro-1,2-dimethylpiperidin-4-yl)oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 157525949
(2R)-1-amino-3-[3-[(2R)-3-amino-2-hydroxypropoxy]-5-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-amino-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-(trifluoromethoxy)phenoxy]propan-2-ol;1-[3-methoxy-5-[3-methyl-4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)-5-(trifluoromethyl)phenoxy]propan-2-ol
CID 157813002
potassium;[(2R)-4,4-difluoro-1-methylpiperidin-2-yl]methanol;5-[[(2R)-4,4-difluoro-1-methylpiperidin-2-yl]methoxy]-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-fluoro-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;methane;2-methylpropan-2-olate
CID 157906023
bis(5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine);methane
CID 158036209
5-[[(1S,5R)-8-(2,2-difluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[[(2R)-4,4-difluoro-1-methylpiperidin-2-yl]methoxy]-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(4,4-difluoro-1-methylpiperidin-3-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3-fluoro-1-methylpiperidin-4-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 158086250

Frequently Asked Questions

What is the IUPAC name of (1S,3R,5S)-8-(2,2-difluoroethyl)-3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-5-yl]oxy-8-azabicyclo[3.2.1]octan-1-ol;5-[[(2R)-4,4-difluoro-1-methylpiperidin-2-yl]methoxy]-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(4,4-difluoro-1-methylpiperidin-3-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3-fluoro-1-methylpiperidin-4-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine?
The IUPAC name of (1S,3R,5S)-8-(2,2-difluoroethyl)-3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-5-yl]oxy-8-azabicyclo[3.2.1]octan-1-ol;5-[[(2R)-4,4-difluoro-1-methylpiperidin-2-yl]methoxy]-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(4,4-difluoro-1-methylpiperidin-3-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3-fluoro-1-methylpiperidin-4-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine (CID 167666020) is (1S,3R,5S)-8-(2,2-difluoroethyl)-3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-5-yl]oxy-8-azabicyclo[3.2.1]octan-1-ol;5-[[(2R)-4,4-difluoro-1-methylpiperidin-2-yl]methoxy]-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(4,4-difluoro-1-methylpiperidin-3-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3-fluoro-1-methylpiperidin-4-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine.
What is the SMILES notation for (1S,3R,5S)-8-(2,2-difluoroethyl)-3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-5-yl]oxy-8-azabicyclo[3.2.1]octan-1-ol;5-[[(2R)-4,4-difluoro-1-methylpiperidin-2-yl]methoxy]-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(4,4-difluoro-1-methylpiperidin-3-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3-fluoro-1-methylpiperidin-4-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine?
The canonical SMILES for (1S,3R,5S)-8-(2,2-difluoroethyl)-3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-5-yl]oxy-8-azabicyclo[3.2.1]octan-1-ol;5-[[(2R)-4,4-difluoro-1-methylpiperidin-2-yl]methoxy]-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(4,4-difluoro-1-methylpiperidin-3-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3-fluoro-1-methylpiperidin-4-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine is COc1cc(O[C@H]2CCN(C)CC2(F)F)c2c(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)ncnc2c1.COc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2c1OC1CCN(C)CC1F.COc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2c1OC1CN(C)CCC1(F)F.COc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2c1OC[C@H]1CC(F)(F)CCN1C.Cc1cc(Nc2ncnc3cccc(OC4CCN(C)CC4(F)F)c23)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnc3cccc(O[C@@H]4C[C@@H]5CC[C@](O)(C4)N5CC(F)F)c23)ccc1Oc1ccn2ncnc2c1.
What is the InChIKey of (1S,3R,5S)-8-(2,2-difluoroethyl)-3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-5-yl]oxy-8-azabicyclo[3.2.1]octan-1-ol;5-[[(2R)-4,4-difluoro-1-methylpiperidin-2-yl]methoxy]-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(4,4-difluoro-1-methylpiperidin-3-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3-fluoro-1-methylpiperidin-4-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine?
The InChIKey is SQOQZMUNWWWFFL-BIIJNINPSA-N. The full InChI is InChI=1S/C30H29F2N7O3.C29H29F2N7O3.2C28H27F2N7O3.C28H28FN7O3.C27H25F2N7O2/c1-18-11-19(5-6-24(18)41-21-8-10-39-27(13-21)34-17-36-39)37-29-28-23(33-16-35-29)3-2-4-25(28)42-22-12-20-7-9-30(40,14-22)38(20)15-26(31)32;1-18-12-19(4-6-23(18)41-21-8-10-38-25(13-21)33-17-35-38)36-28-26-22(32-16-34-28)5-7-24(39-3)27(26)40-15-20-14-29(30,31)9-11-37(20)2;1-17-12-18(4-6-21(17)39-19-8-10-37-24(13-19)32-16-34-37)35-27-25-20(31-15-33-27)5-7-22(38-3)26(25)40-23-14-36(2)11-9-28(23,29)30;1-17-10-18(4-5-22(17)39-19-6-9-37-25(13-19)32-16-34-37)35-27-26-21(31-15-33-27)11-20(38-3)12-23(26)40-24-7-8-36(2)14-28(24,29)30;1-17-12-18(4-6-22(17)38-19-8-11-36-25(13-19)31-16-33-36)34-28-26-21(30-15-32-28)5-7-24(37-3)27(26)39-23-9-10-35(2)14-20(23)29;1-17-12-18(6-7-21(17)37-19-8-11-36-24(13-19)31-16-33-36)34-26-25-20(30-15-32-26)4-3-5-22(25)38-23-9-10-35(2)14-27(23,28)29/h2-6,8,10-11,13,16-17,20,22,26,40H,7,9,12,14-15H2,1H3,(H,33,35,37);4-8,10,12-13,16-17,20H,9,11,14-15H2,1-3H3,(H,32,34,36);4-8,10,12-13,15-16,23H,9,11,14H2,1-3H3,(H,31,33,35);4-6,9-13,15-16,24H,7-8,14H2,1-3H3,(H,31,33,35);4-8,11-13,15-16,20,23H,9-10,14H2,1-3H3,(H,30,32,34);3-8,11-13,15-16,23H,9-10,14H2,1-2H3,(H,30,32,34)/t20-,22+,30-;20-;;24-;;/m01.0../s1.
What are the key properties of (1S,3R,5S)-8-(2,2-difluoroethyl)-3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-5-yl]oxy-8-azabicyclo[3.2.1]octan-1-ol;5-[[(2R)-4,4-difluoro-1-methylpiperidin-2-yl]methoxy]-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(4,4-difluoro-1-methylpiperidin-3-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3-fluoro-1-methylpiperidin-4-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine?
(1S,3R,5S)-8-(2,2-difluoroethyl)-3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-5-yl]oxy-8-azabicyclo[3.2.1]octan-1-ol;5-[[(2R)-4,4-difluoro-1-methylpiperidin-2-yl]methoxy]-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(4,4-difluoro-1-methylpiperidin-3-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3-fluoro-1-methylpiperidin-4-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine has a molecular weight of 3277.44 g/mol, XLogP of 31.78, 43 rotatable bonds, 7 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,5S)-8-(2,2-difluoroethyl)-3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-5-yl]oxy-8-azabicyclo[3.2.1]octan-1-ol;5-[[(2R)-4,4-difluoro-1-methylpiperidin-2-yl]methoxy]-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(4,4-difluoro-1-methylpiperidin-3-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3-fluoro-1-methylpiperidin-4-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine is sourced from PubChem (CID 167666020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).