bis(5-(4-deuterio-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-(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]-6-methoxyquinazolin-4-amine;5-(3,3-difluoro-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;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-[3,3-difluoro-1-methyl-2-(trifluoromethyl)piperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine

C167H156F16N42O16 — CID 167633158

IUPACbis(5-(4-deuterio-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-(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]-6-methoxyquinazolin-4-amine;5-(3,3-difluoro-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;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-[3,3-difluoro-1-methyl-2-(trifluoromethyl)piperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
SMILESCOc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cc4F)c(C)c3)c2c1OC1CCN(C)CC1(F)F.COc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2c1OC1CCN(C)CC1(F)F.Cc1cc(Nc2ncnc3cccc(OC4CCN(C)C(C(F)(F)F)C4(F)F)c23)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnc3cccc(OC4CCN(C)CC4(F)F)c23)ccc1Oc1ccn2ncnc2c1.[2H]C1(Oc2cc(OC)cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)CCN(C)CC1(F)F.[2H]C1(Oc2cc(OC)cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)CCN(C)CC1(F)F
InChIInChI=1S/C28H24F5N7O2.C28H26F3N7O3.3C28H27F2N7O3.C27H25F2N7O2/c1-16-12-17(6-7-20(16)41-18-8-11-40-23(13-18)35-15-37-40)38-25-24-19(34-14-36-25)4-3-5-21(24)42-22-9-10-39(2)26(27(22,29)30)28(31,32)33;1-16-10-17(4-6-20(16)40-22-11-24-33-15-35-38(24)12-18(22)29)36-27-25-19(32-14-34-27)5-7-21(39-3)26(25)41-23-8-9-37(2)13-28(23,30)31;1-17-12-18(4-6-21(17)39-19-8-11-37-24(13-19)32-16-34-37)35-27-25-20(31-15-33-27)5-7-22(38-3)26(25)40-23-9-10-36(2)14-28(23,29)30;2*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(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/h3-8,11-15,22,26H,9-10H2,1-2H3,(H,34,36,38);4-7,10-12,14-15,23H,8-9,13H2,1-3H3,(H,32,34,36);4-8,11-13,15-16,23H,9-10,14H2,1-3H3,(H,31,33,35);2*4-6,9-13,15-16,24H,7-8,14H2,1-3H3,(H,31,33,35);3-8,11-13,15-16,23H,9-10,14H2,1-2H3,(H,30,32,34)/i;;;2*24D;
InChIKeyOCCLYFIHZZTDSJ-UQIFQMBMSA-N
MW3313.34 g/mol
LogP32.51
Rot. Bonds40

About bis(5-(4-deuterio-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-(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]-6-methoxyquinazolin-4-amine;5-(3,3-difluoro-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;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-[3,3-difluoro-1-methyl-2-(trifluoromethyl)piperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine

bis(5-(4-deuterio-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-(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]-6-methoxyquinazolin-4-amine;5-(3,3-difluoro-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;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-[3,3-difluoro-1-methyl-2-(trifluoromethyl)piperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine (PubChem CID 167633158) has the molecular formula C167H156F16N42O16 and a molecular weight of 3313.34 g/mol. Its IUPAC name is bis(5-(4-deuterio-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-(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]-6-methoxyquinazolin-4-amine;5-(3,3-difluoro-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;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-[3,3-difluoro-1-methyl-2-(trifluoromethyl)piperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Namebis(5-(4-deuterio-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-(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]-6-methoxyquinazolin-4-amine;5-(3,3-difluoro-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;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-[3,3-difluoro-1-methyl-2-(trifluoromethyl)piperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
PubChem CID167633158
Molecular FormulaC167H156F16N42O16
Molecular Weight3313.34 g/mol
Exact Mass3311.26
IUPAC Namebis(5-(4-deuterio-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-(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]-6-methoxyquinazolin-4-amine;5-(3,3-difluoro-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;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-[3,3-difluoro-1-methyl-2-(trifluoromethyl)piperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
SMILESCOc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cc4F)c(C)c3)c2c1OC1CCN(C)CC1(F)F.COc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2c1OC1CCN(C)CC1(F)F.Cc1cc(Nc2ncnc3cccc(OC4CCN(C)C(C(F)(F)F)C4(F)F)c23)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnc3cccc(OC4CCN(C)CC4(F)F)c23)ccc1Oc1ccn2ncnc2c1.[2H]C1(Oc2cc(OC)cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)CCN(C)CC1(F)F.[2H]C1(Oc2cc(OC)cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)CCN(C)CC1(F)F
InChIInChI=1S/C28H24F5N7O2.C28H26F3N7O3.3C28H27F2N7O3.C27H25F2N7O2/c1-16-12-17(6-7-20(16)41-18-8-11-40-23(13-18)35-15-37-40)38-25-24-19(34-14-36-25)4-3-5-21(24)42-22-9-10-39(2)26(27(22,29)30)28(31,32)33;1-16-10-17(4-6-20(16)40-22-11-24-33-15-35-38(24)12-18(22)29)36-27-25-19(32-14-34-27)5-7-21(39-3)26(25)41-23-8-9-37(2)13-28(23,30)31;1-17-12-18(4-6-21(17)39-19-8-11-37-24(13-19)32-16-34-37)35-27-25-20(31-15-33-27)5-7-22(38-3)26(25)40-23-9-10-36(2)14-28(23,29)30;2*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(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/h3-8,11-15,22,26H,9-10H2,1-2H3,(H,34,36,38);4-7,10-12,14-15,23H,8-9,13H2,1-3H3,(H,32,34,36);4-8,11-13,15-16,23H,9-10,14H2,1-3H3,(H,31,33,35);2*4-6,9-13,15-16,24H,7-8,14H2,1-3H3,(H,31,33,35);3-8,11-13,15-16,23H,9-10,14H2,1-2H3,(H,30,32,34)/i;;;2*24D;
InChIKeyOCCLYFIHZZTDSJ-UQIFQMBMSA-N
XLogP32.51
TPSA575.12 Ų
H-Bond Donors6
H-Bond Acceptors58
Rotatable Bonds40
Heavy Atoms241
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003313.34
LogP ≤ 532.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1058

Analyze bis(5-(4-deuterio-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-(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]-6-methoxyquinazolin-4-amine;5-(3,3-difluoro-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;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-[3,3-difluoro-1-methyl-2-(trifluoromethyl)piperidin-4-yl]oxy-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
Bizrolertinib
CID 146448634
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-(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-(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
Her2-IN-7
CID 146241231
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-[(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
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 146250831
US11723908, Example 78
CID 146448640

Frequently Asked Questions

What is the IUPAC name of bis(5-(4-deuterio-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-(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]-6-methoxyquinazolin-4-amine;5-(3,3-difluoro-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;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-[3,3-difluoro-1-methyl-2-(trifluoromethyl)piperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine?
The IUPAC name of bis(5-(4-deuterio-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-(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]-6-methoxyquinazolin-4-amine;5-(3,3-difluoro-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;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-[3,3-difluoro-1-methyl-2-(trifluoromethyl)piperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine (CID 167633158) is bis(5-(4-deuterio-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-(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]-6-methoxyquinazolin-4-amine;5-(3,3-difluoro-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;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-[3,3-difluoro-1-methyl-2-(trifluoromethyl)piperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine.
What is the SMILES notation for bis(5-(4-deuterio-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-(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]-6-methoxyquinazolin-4-amine;5-(3,3-difluoro-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;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-[3,3-difluoro-1-methyl-2-(trifluoromethyl)piperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine?
The canonical SMILES for bis(5-(4-deuterio-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-(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]-6-methoxyquinazolin-4-amine;5-(3,3-difluoro-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;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-[3,3-difluoro-1-methyl-2-(trifluoromethyl)piperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine is COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cc4F)c(C)c3)c2c1OC1CCN(C)CC1(F)F.COc1ccc2ncnc(Nc3ccc(Oc4ccn5ncnc5c4)c(C)c3)c2c1OC1CCN(C)CC1(F)F.Cc1cc(Nc2ncnc3cccc(OC4CCN(C)C(C(F)(F)F)C4(F)F)c23)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnc3cccc(OC4CCN(C)CC4(F)F)c23)ccc1Oc1ccn2ncnc2c1.[2H]C1(Oc2cc(OC)cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)CCN(C)CC1(F)F.[2H]C1(Oc2cc(OC)cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)CCN(C)CC1(F)F.
What is the InChIKey of bis(5-(4-deuterio-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-(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]-6-methoxyquinazolin-4-amine;5-(3,3-difluoro-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;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-[3,3-difluoro-1-methyl-2-(trifluoromethyl)piperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine?
The InChIKey is OCCLYFIHZZTDSJ-UQIFQMBMSA-N. The full InChI is InChI=1S/C28H24F5N7O2.C28H26F3N7O3.3C28H27F2N7O3.C27H25F2N7O2/c1-16-12-17(6-7-20(16)41-18-8-11-40-23(13-18)35-15-37-40)38-25-24-19(34-14-36-25)4-3-5-21(24)42-22-9-10-39(2)26(27(22,29)30)28(31,32)33;1-16-10-17(4-6-20(16)40-22-11-24-33-15-35-38(24)12-18(22)29)36-27-25-19(32-14-34-27)5-7-21(39-3)26(25)41-23-8-9-37(2)13-28(23,30)31;1-17-12-18(4-6-21(17)39-19-8-11-37-24(13-19)32-16-34-37)35-27-25-20(31-15-33-27)5-7-22(38-3)26(25)40-23-9-10-36(2)14-28(23,29)30;2*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(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/h3-8,11-15,22,26H,9-10H2,1-2H3,(H,34,36,38);4-7,10-12,14-15,23H,8-9,13H2,1-3H3,(H,32,34,36);4-8,11-13,15-16,23H,9-10,14H2,1-3H3,(H,31,33,35);2*4-6,9-13,15-16,24H,7-8,14H2,1-3H3,(H,31,33,35);3-8,11-13,15-16,23H,9-10,14H2,1-2H3,(H,30,32,34)/i;;;2*24D;.
What are the key properties of bis(5-(4-deuterio-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-(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]-6-methoxyquinazolin-4-amine;5-(3,3-difluoro-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;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-[3,3-difluoro-1-methyl-2-(trifluoromethyl)piperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine?
bis(5-(4-deuterio-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-(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]-6-methoxyquinazolin-4-amine;5-(3,3-difluoro-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;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-[3,3-difluoro-1-methyl-2-(trifluoromethyl)piperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine has a molecular weight of 3313.34 g/mol, XLogP of 32.51, 40 rotatable bonds, 6 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-(4-deuterio-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-(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]-6-methoxyquinazolin-4-amine;5-(3,3-difluoro-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;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-[3,3-difluoro-1-methyl-2-(trifluoromethyl)piperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine is sourced from PubChem (CID 167633158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).