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-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[2-(difluoromethyl)piperidin-4-yl]oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)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]-7-(oxolan-3-yloxy)quinazolin-4-amine;5-(3,3-difluoropiperidin-4-yl)oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine

C169H159F14N41O16 — CID 161027331

IUPAC5-(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-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[2-(difluoromethyl)piperidin-4-yl]oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)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]-7-(oxolan-3-yloxy)quinazolin-4-amine;5-(3,3-difluoropiperidin-4-yl)oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
SMILESCOc1cc(OC2CCN(C)CC2(F)F)c2c(Nc3cc(C)c(Oc4ccn5ncnc5c4)cc3F)ncnc2c1.COc1cc(OC2CCNCC2(F)F)c2c(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)ncnc2c1.Cc1cc(Nc2ncnc3cc(F)cc(OC4CCN(C)CC4(F)F)c23)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnc3cc(OC4CCOC4)cc(OC4CCN(C)CC4(F)F)c23)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnc3cccc(OC4CC(C)N(C)CC4(F)F)c23)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnc3cccc(OC4CCNC(C(F)F)C4)c23)ccc1Oc1ccn2ccnc2c1
InChIInChI=1S/C31H31F2N7O4.C28H26F3N7O3.C28H27F2N7O2.C28H26F2N6O2.C27H24F3N7O2.C27H25F2N7O3/c1-19-11-20(3-4-25(19)43-21-5-9-40-28(14-21)35-18-37-40)38-30-29-24(34-17-36-30)12-23(42-22-7-10-41-15-22)13-26(29)44-27-6-8-39(2)16-31(27,32)33;1-16-8-20(19(29)12-22(16)40-17-4-7-38-25(11-17)33-15-35-38)36-27-26-21(32-14-34-27)9-18(39-3)10-23(26)41-24-5-6-37(2)13-28(24,30)31;1-17-11-19(7-8-22(17)38-20-9-10-37-25(13-20)32-16-34-37)35-27-26-21(31-15-33-27)5-4-6-23(26)39-24-12-18(2)36(3)14-28(24,29)30;1-17-13-18(5-6-23(17)37-20-8-11-36-12-10-32-25(36)15-20)35-28-26-21(33-16-34-28)3-2-4-24(26)38-19-7-9-31-22(14-19)27(29)30;1-16-9-18(3-4-21(16)38-19-5-8-37-24(12-19)32-15-34-37)35-26-25-20(31-14-33-26)10-17(28)11-22(25)39-23-6-7-36(2)13-27(23,29)30;1-16-9-17(3-4-21(16)38-18-6-8-36-24(12-18)32-15-34-36)35-26-25-20(31-14-33-26)10-19(37-2)11-22(25)39-23-5-7-30-13-27(23,28)29/h3-5,9,11-14,17-18,22,27H,6-8,10,15-16H2,1-2H3,(H,34,36,38);4,7-12,14-15,24H,5-6,13H2,1-3H3,(H,32,34,36);4-11,13,15-16,18,24H,12,14H2,1-3H3,(H,31,33,35);2-6,8,10-13,15-16,19,22,27,31H,7,9,14H2,1H3,(H,33,34,35);3-5,8-12,14-15,23H,6-7,13H2,1-2H3,(H,31,33,35);3-4,6,8-12,14-15,23,30H,5,7,13H2,1-2H3,(H,31,33,35)
InChIKeyTZDURWYMQMYPEG-UHFFFAOYSA-N
MW3286.37 g/mol
LogP32.57
Rot. Bonds41

About 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-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[2-(difluoromethyl)piperidin-4-yl]oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)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]-7-(oxolan-3-yloxy)quinazolin-4-amine;5-(3,3-difluoropiperidin-4-yl)oxy-7-methoxy-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-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[2-(difluoromethyl)piperidin-4-yl]oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)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]-7-(oxolan-3-yloxy)quinazolin-4-amine;5-(3,3-difluoropiperidin-4-yl)oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine (PubChem CID 161027331) has the molecular formula C169H159F14N41O16 and a molecular weight of 3286.37 g/mol. Its IUPAC name is 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-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[2-(difluoromethyl)piperidin-4-yl]oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)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]-7-(oxolan-3-yloxy)quinazolin-4-amine;5-(3,3-difluoropiperidin-4-yl)oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name5-(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-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[2-(difluoromethyl)piperidin-4-yl]oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)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]-7-(oxolan-3-yloxy)quinazolin-4-amine;5-(3,3-difluoropiperidin-4-yl)oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
PubChem CID161027331
Molecular FormulaC169H159F14N41O16
Molecular Weight3286.37 g/mol
Exact Mass3284.27
IUPAC Name5-(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-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[2-(difluoromethyl)piperidin-4-yl]oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)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]-7-(oxolan-3-yloxy)quinazolin-4-amine;5-(3,3-difluoropiperidin-4-yl)oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
SMILESCOc1cc(OC2CCN(C)CC2(F)F)c2c(Nc3cc(C)c(Oc4ccn5ncnc5c4)cc3F)ncnc2c1.COc1cc(OC2CCNCC2(F)F)c2c(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)ncnc2c1.Cc1cc(Nc2ncnc3cc(F)cc(OC4CCN(C)CC4(F)F)c23)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnc3cc(OC4CCOC4)cc(OC4CCN(C)CC4(F)F)c23)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnc3cccc(OC4CC(C)N(C)CC4(F)F)c23)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnc3cccc(OC4CCNC(C(F)F)C4)c23)ccc1Oc1ccn2ccnc2c1
InChIInChI=1S/C31H31F2N7O4.C28H26F3N7O3.C28H27F2N7O2.C28H26F2N6O2.C27H24F3N7O2.C27H25F2N7O3/c1-19-11-20(3-4-25(19)43-21-5-9-40-28(14-21)35-18-37-40)38-30-29-24(34-17-36-30)12-23(42-22-7-10-41-15-22)13-26(29)44-27-6-8-39(2)16-31(27,32)33;1-16-8-20(19(29)12-22(16)40-17-4-7-38-25(11-17)33-15-35-38)36-27-26-21(32-14-34-27)9-18(39-3)10-23(26)41-24-5-6-37(2)13-28(24,30)31;1-17-11-19(7-8-22(17)38-20-9-10-37-25(13-20)32-16-34-37)35-27-26-21(31-15-33-27)5-4-6-23(26)39-24-12-18(2)36(3)14-28(24,29)30;1-17-13-18(5-6-23(17)37-20-8-11-36-12-10-32-25(36)15-20)35-28-26-21(33-16-34-28)3-2-4-24(26)38-19-7-9-31-22(14-19)27(29)30;1-16-9-18(3-4-21(16)38-19-5-8-37-24(12-19)32-15-34-37)35-26-25-20(31-14-33-26)10-17(28)11-22(25)39-23-6-7-36(2)13-27(23,29)30;1-16-9-17(3-4-21(16)38-18-6-8-36-24(12-18)32-15-34-36)35-26-25-20(31-14-33-26)10-19(37-2)11-22(25)39-23-5-7-30-13-27(23,28)29/h3-5,9,11-14,17-18,22,27H,6-8,10,15-16H2,1-2H3,(H,34,36,38);4,7-12,14-15,24H,5-6,13H2,1-3H3,(H,32,34,36);4-11,13,15-16,18,24H,12,14H2,1-3H3,(H,31,33,35);2-6,8,10-13,15-16,19,22,27,31H,7,9,14H2,1H3,(H,33,34,35);3-5,8-12,14-15,23H,6-7,13H2,1-2H3,(H,31,33,35);3-4,6,8-12,14-15,23,30H,5,7,13H2,1-2H3,(H,31,33,35)
InChIKeyTZDURWYMQMYPEG-UHFFFAOYSA-N
XLogP32.57
TPSA579.81 Ų
H-Bond Donors8
H-Bond Acceptors57
Rotatable Bonds41
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003286.37
LogP ≤ 532.57
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1057

Analyze 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-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[2-(difluoromethyl)piperidin-4-yl]oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)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]-7-(oxolan-3-yloxy)quinazolin-4-amine;5-(3,3-difluoropiperidin-4-yl)oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

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
CID 146241657
5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine
CID 146240627
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-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-7-methoxyquinazolin-4-amine
CID 146241156
5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-7-methoxyquinazolin-4-amine
CID 146241576
5-[(4S)-3,3-difluoropiperidin-4-yl]oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 146250699
5-(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
CID 146250829
US11723908, Example 51
CID 146448687
US11723908, Example 52
CID 146510036
5-(3,3-difluoropiperidin-4-yl)oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 146240648
CID 146241250
CID 146241250
5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine
CID 146241688

Frequently Asked Questions

What is the IUPAC name of 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-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[2-(difluoromethyl)piperidin-4-yl]oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)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]-7-(oxolan-3-yloxy)quinazolin-4-amine;5-(3,3-difluoropiperidin-4-yl)oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine?
The IUPAC name of 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-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[2-(difluoromethyl)piperidin-4-yl]oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)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]-7-(oxolan-3-yloxy)quinazolin-4-amine;5-(3,3-difluoropiperidin-4-yl)oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine (CID 161027331) is 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-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[2-(difluoromethyl)piperidin-4-yl]oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)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]-7-(oxolan-3-yloxy)quinazolin-4-amine;5-(3,3-difluoropiperidin-4-yl)oxy-7-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 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-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[2-(difluoromethyl)piperidin-4-yl]oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)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]-7-(oxolan-3-yloxy)quinazolin-4-amine;5-(3,3-difluoropiperidin-4-yl)oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine?
The canonical SMILES for 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-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[2-(difluoromethyl)piperidin-4-yl]oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)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]-7-(oxolan-3-yloxy)quinazolin-4-amine;5-(3,3-difluoropiperidin-4-yl)oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine is COc1cc(OC2CCN(C)CC2(F)F)c2c(Nc3cc(C)c(Oc4ccn5ncnc5c4)cc3F)ncnc2c1.COc1cc(OC2CCNCC2(F)F)c2c(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)ncnc2c1.Cc1cc(Nc2ncnc3cc(F)cc(OC4CCN(C)CC4(F)F)c23)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnc3cc(OC4CCOC4)cc(OC4CCN(C)CC4(F)F)c23)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnc3cccc(OC4CC(C)N(C)CC4(F)F)c23)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnc3cccc(OC4CCNC(C(F)F)C4)c23)ccc1Oc1ccn2ccnc2c1.
What is the InChIKey of 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-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[2-(difluoromethyl)piperidin-4-yl]oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)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]-7-(oxolan-3-yloxy)quinazolin-4-amine;5-(3,3-difluoropiperidin-4-yl)oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine?
The InChIKey is TZDURWYMQMYPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31F2N7O4.C28H26F3N7O3.C28H27F2N7O2.C28H26F2N6O2.C27H24F3N7O2.C27H25F2N7O3/c1-19-11-20(3-4-25(19)43-21-5-9-40-28(14-21)35-18-37-40)38-30-29-24(34-17-36-30)12-23(42-22-7-10-41-15-22)13-26(29)44-27-6-8-39(2)16-31(27,32)33;1-16-8-20(19(29)12-22(16)40-17-4-7-38-25(11-17)33-15-35-38)36-27-26-21(32-14-34-27)9-18(39-3)10-23(26)41-24-5-6-37(2)13-28(24,30)31;1-17-11-19(7-8-22(17)38-20-9-10-37-25(13-20)32-16-34-37)35-27-26-21(31-15-33-27)5-4-6-23(26)39-24-12-18(2)36(3)14-28(24,29)30;1-17-13-18(5-6-23(17)37-20-8-11-36-12-10-32-25(36)15-20)35-28-26-21(33-16-34-28)3-2-4-24(26)38-19-7-9-31-22(14-19)27(29)30;1-16-9-18(3-4-21(16)38-19-5-8-37-24(12-19)32-15-34-37)35-26-25-20(31-14-33-26)10-17(28)11-22(25)39-23-6-7-36(2)13-27(23,29)30;1-16-9-17(3-4-21(16)38-18-6-8-36-24(12-18)32-15-34-36)35-26-25-20(31-14-33-26)10-19(37-2)11-22(25)39-23-5-7-30-13-27(23,28)29/h3-5,9,11-14,17-18,22,27H,6-8,10,15-16H2,1-2H3,(H,34,36,38);4,7-12,14-15,24H,5-6,13H2,1-3H3,(H,32,34,36);4-11,13,15-16,18,24H,12,14H2,1-3H3,(H,31,33,35);2-6,8,10-13,15-16,19,22,27,31H,7,9,14H2,1H3,(H,33,34,35);3-5,8-12,14-15,23H,6-7,13H2,1-2H3,(H,31,33,35);3-4,6,8-12,14-15,23,30H,5,7,13H2,1-2H3,(H,31,33,35).
What are the key properties of 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-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[2-(difluoromethyl)piperidin-4-yl]oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)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]-7-(oxolan-3-yloxy)quinazolin-4-amine;5-(3,3-difluoropiperidin-4-yl)oxy-7-methoxy-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-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[2-(difluoromethyl)piperidin-4-yl]oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)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]-7-(oxolan-3-yloxy)quinazolin-4-amine;5-(3,3-difluoropiperidin-4-yl)oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine has a molecular weight of 3286.37 g/mol, XLogP of 32.57, 41 rotatable bonds, 8 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 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-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[2-fluoro-5-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-7-methoxyquinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-fluoro-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[2-(difluoromethyl)piperidin-4-yl]oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)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]-7-(oxolan-3-yloxy)quinazolin-4-amine;5-(3,3-difluoropiperidin-4-yl)oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine is sourced from PubChem (CID 161027331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).