tert-butyl 3-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]azetidine-1-carboxylate;tert-butyl 3-[[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]methyl]azetidine-1-carboxylate;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]quinoline;2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]-N,N-diethylethanamine;2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]-N,N-dimethylethanamine;6-[difluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline

C163H152F14N62O4 — CID 160948212

IUPACtert-butyl 3-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]azetidine-1-carboxylate;tert-butyl 3-[[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]methyl]azetidine-1-carboxylate;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]quinoline;2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]-N,N-diethylethanamine;2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]-N,N-dimethylethanamine;6-[difluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline
SMILESCCN(CC)CCn1cc(-c2cnc3ccc(C(F)(F)c4nnc5ncc(C)nn45)cc3c2)cn1.Cc1cnc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(C6CN(C(=O)OC(C)(C)C)C6)c5)cc4c3)n2n1.Cc1cnc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(C6CN(C)C6)c5)cc4c3)n2n1.Cc1cnc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(CC6CN(C(=O)OC(C)(C)C)C6)c5)cc4c3)n2n1.Cc1cnc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(CCN(C)C)c5)cc4c3)n2n1.Cc1cnc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(CCN6CCCC6)c5)cc4c3)n2n1.Cn1cc(-c2cnc3ccc(C(F)(F)c4nnc5nccnn45)cc3c2)cn1
InChIInChI=1S/C27H27F2N9O2.C26H25F2N9O2.C24H23F2N9.C24H25F2N9.C22H19F2N9.C22H21F2N9.C18H12F2N8/c1-16-9-31-24-34-33-23(38(24)35-16)27(28,29)21-5-6-22-18(8-21)7-19(10-30-22)20-11-32-37(15-20)14-17-12-36(13-17)25(39)40-26(2,3)4;1-15-9-30-23-33-32-22(37(23)34-15)26(27,28)19-5-6-21-16(8-19)7-17(10-29-21)18-11-31-36(12-18)20-13-35(14-20)24(38)39-25(2,3)4;1-16-12-28-23-31-30-22(35(23)32-16)24(25,26)20-4-5-21-17(11-20)10-18(13-27-21)19-14-29-34(15-19)9-8-33-6-2-3-7-33;1-4-33(5-2)8-9-34-15-19(14-29-34)18-10-17-11-20(6-7-21(17)27-13-18)24(25,26)22-30-31-23-28-12-16(3)32-35(22)23;1-13-7-26-21-29-28-20(33(21)30-13)22(23,24)17-3-4-19-14(6-17)5-15(8-25-19)16-9-27-32(10-16)18-11-31(2)12-18;1-14-10-26-21-29-28-20(33(21)30-14)22(23,24)18-4-5-19-15(9-18)8-16(11-25-19)17-12-27-32(13-17)7-6-31(2)3;1-27-10-13(9-24-27)12-6-11-7-14(2-3-15(11)22-8-12)18(19,20)16-25-26-17-21-4-5-23-28(16)17/h5-11,15,17H,12-14H2,1-4H3;5-12,20H,13-14H2,1-4H3;4-5,10-15H,2-3,6-9H2,1H3;6-7,10-15H,4-5,8-9H2,1-3H3;3-10,18H,11-12H2,1-2H3;4-5,8-13H,6-7H2,1-3H3;2-10H,1H3
InChIKeySVKBESIWKZZRAL-UHFFFAOYSA-N
MW3309.41 g/mol
LogP24.03
Rot. Bonds36

About tert-butyl 3-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]azetidine-1-carboxylate;tert-butyl 3-[[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]methyl]azetidine-1-carboxylate;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]quinoline;2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]-N,N-diethylethanamine;2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]-N,N-dimethylethanamine;6-[difluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline

tert-butyl 3-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]azetidine-1-carboxylate;tert-butyl 3-[[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]methyl]azetidine-1-carboxylate;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]quinoline;2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]-N,N-diethylethanamine;2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]-N,N-dimethylethanamine;6-[difluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline (PubChem CID 160948212) has the molecular formula C163H152F14N62O4 and a molecular weight of 3309.41 g/mol. Its IUPAC name is tert-butyl 3-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]azetidine-1-carboxylate;tert-butyl 3-[[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]methyl]azetidine-1-carboxylate;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]quinoline;2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]-N,N-diethylethanamine;2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]-N,N-dimethylethanamine;6-[difluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline.

Molecular Properties

Compound Nametert-butyl 3-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]azetidine-1-carboxylate;tert-butyl 3-[[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]methyl]azetidine-1-carboxylate;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]quinoline;2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]-N,N-diethylethanamine;2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]-N,N-dimethylethanamine;6-[difluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline
PubChem CID160948212
Molecular FormulaC163H152F14N62O4
Molecular Weight3309.41 g/mol
Exact Mass3307.34
IUPAC Nametert-butyl 3-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]azetidine-1-carboxylate;tert-butyl 3-[[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]methyl]azetidine-1-carboxylate;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]quinoline;2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]-N,N-diethylethanamine;2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]-N,N-dimethylethanamine;6-[difluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline
SMILESCCN(CC)CCn1cc(-c2cnc3ccc(C(F)(F)c4nnc5ncc(C)nn45)cc3c2)cn1.Cc1cnc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(C6CN(C(=O)OC(C)(C)C)C6)c5)cc4c3)n2n1.Cc1cnc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(C6CN(C)C6)c5)cc4c3)n2n1.Cc1cnc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(CC6CN(C(=O)OC(C)(C)C)C6)c5)cc4c3)n2n1.Cc1cnc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(CCN(C)C)c5)cc4c3)n2n1.Cc1cnc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(CCN6CCCC6)c5)cc4c3)n2n1.Cn1cc(-c2cnc3ccc(C(F)(F)c4nnc5nccnn45)cc3c2)cn1
InChIInChI=1S/C27H27F2N9O2.C26H25F2N9O2.C24H23F2N9.C24H25F2N9.C22H19F2N9.C22H21F2N9.C18H12F2N8/c1-16-9-31-24-34-33-23(38(24)35-16)27(28,29)21-5-6-22-18(8-21)7-19(10-30-22)20-11-32-37(15-20)14-17-12-36(13-17)25(39)40-26(2,3)4;1-15-9-30-23-33-32-22(37(23)34-15)26(27,28)19-5-6-21-16(8-19)7-17(10-29-21)18-11-31-36(12-18)20-13-35(14-20)24(38)39-25(2,3)4;1-16-12-28-23-31-30-22(35(23)32-16)24(25,26)20-4-5-21-17(11-20)10-18(13-27-21)19-14-29-34(15-19)9-8-33-6-2-3-7-33;1-4-33(5-2)8-9-34-15-19(14-29-34)18-10-17-11-20(6-7-21(17)27-13-18)24(25,26)22-30-31-23-28-12-16(3)32-35(22)23;1-13-7-26-21-29-28-20(33(21)30-13)22(23,24)17-3-4-19-14(6-17)5-15(8-25-19)16-9-27-32(10-16)18-11-31(2)12-18;1-14-10-26-21-29-28-20(33(21)30-14)22(23,24)18-4-5-19-15(9-18)8-16(11-25-19)17-12-27-32(13-17)7-6-31(2)3;1-27-10-13(9-24-27)12-6-11-7-14(2-3-15(11)22-8-12)18(19,20)16-25-26-17-21-4-5-23-28(16)17/h5-11,15,17H,12-14H2,1-4H3;5-12,20H,13-14H2,1-4H3;4-5,10-15H,2-3,6-9H2,1H3;6-7,10-15H,4-5,8-9H2,1-3H3;3-10,18H,11-12H2,1-2H3;4-5,8-13H,6-7H2,1-3H3;2-10H,1H3
InChIKeySVKBESIWKZZRAL-UHFFFAOYSA-N
XLogP24.03
TPSA678.80 Ų
H-Bond Donors
H-Bond Acceptors64
Rotatable Bonds36
Heavy Atoms243
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003309.41
LogP ≤ 524.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1064

Analyze tert-butyl 3-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]azetidine-1-carboxylate;tert-butyl 3-[[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]methyl]azetidine-1-carboxylate;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]quinoline;2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]-N,N-diethylethanamine;2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]-N,N-dimethylethanamine;6-[difluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline with MolForge

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Related Compounds

Tert-butyl 4-[4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate
CID 57406219
Tert-butyl 4-[4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate
CID 57406224
4-{4-[3-(5,7-Difluoro-quinolin-6-yl methyl)-imidazo[1,2-b]pyridazin-6-yl]-pyrazol-1-yl}-piperidine-1-carboxylic acid tert-butyl ester
CID 57917392
Tert-butyl 3-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]azetidine-1-carboxylate
CID 59320294
Tert-butyl 3-[[4-[6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]methyl]azetidine-1-carboxylate
CID 59320384
Tert-butyl 3-[[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]methyl]azetidine-1-carboxylate
CID 59320414
Tert-butyl 3-[4-[6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]azetidine-1-carboxylate
CID 59320436
2-Methylbut-3-yn-2-yl 3-[[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]methyl]azetidine-1-carboxylate
CID 89270865
2-Methylbut-3-yn-2-yl 3-[4-[6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]azetidine-1-carboxylate
CID 89270970
9-[[4-[4-(Azetidin-1-yl)-1-methylimidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;bis(9-[[4-(3,5-dimethylpyrazol-1-yl)cyclohexyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one);methane;7-methyl-9-[[4-[1-(oxetan-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one
CID 157096663
Tert-butyl 4-[4-[1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;6-(1-cyclohexylpyrazol-4-yl)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine;bis(6-(1-cyclohexylpyrazol-4-yl)-1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridine)
CID 157303422
3-(3,3-difluorocyclobutyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-7-methylisoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(4,4-difluorocyclohexyl)-1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(4,4-difluorocyclohexyl)-N-methyl-1-[2-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 157312835

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]azetidine-1-carboxylate;tert-butyl 3-[[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]methyl]azetidine-1-carboxylate;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]quinoline;2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]-N,N-diethylethanamine;2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]-N,N-dimethylethanamine;6-[difluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline?
The IUPAC name of tert-butyl 3-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]azetidine-1-carboxylate;tert-butyl 3-[[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]methyl]azetidine-1-carboxylate;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]quinoline;2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]-N,N-diethylethanamine;2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]-N,N-dimethylethanamine;6-[difluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline (CID 160948212) is tert-butyl 3-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]azetidine-1-carboxylate;tert-butyl 3-[[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]methyl]azetidine-1-carboxylate;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]quinoline;2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]-N,N-diethylethanamine;2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]-N,N-dimethylethanamine;6-[difluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline.
What is the SMILES notation for tert-butyl 3-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]azetidine-1-carboxylate;tert-butyl 3-[[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]methyl]azetidine-1-carboxylate;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]quinoline;2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]-N,N-diethylethanamine;2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]-N,N-dimethylethanamine;6-[difluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline?
The canonical SMILES for tert-butyl 3-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]azetidine-1-carboxylate;tert-butyl 3-[[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]methyl]azetidine-1-carboxylate;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]quinoline;2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]-N,N-diethylethanamine;2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]-N,N-dimethylethanamine;6-[difluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline is CCN(CC)CCn1cc(-c2cnc3ccc(C(F)(F)c4nnc5ncc(C)nn45)cc3c2)cn1.Cc1cnc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(C6CN(C(=O)OC(C)(C)C)C6)c5)cc4c3)n2n1.Cc1cnc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(C6CN(C)C6)c5)cc4c3)n2n1.Cc1cnc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(CC6CN(C(=O)OC(C)(C)C)C6)c5)cc4c3)n2n1.Cc1cnc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(CCN(C)C)c5)cc4c3)n2n1.Cc1cnc2nnc(C(F)(F)c3ccc4ncc(-c5cnn(CCN6CCCC6)c5)cc4c3)n2n1.Cn1cc(-c2cnc3ccc(C(F)(F)c4nnc5nccnn45)cc3c2)cn1.
What is the InChIKey of tert-butyl 3-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]azetidine-1-carboxylate;tert-butyl 3-[[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]methyl]azetidine-1-carboxylate;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]quinoline;2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]-N,N-diethylethanamine;2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]-N,N-dimethylethanamine;6-[difluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline?
The InChIKey is SVKBESIWKZZRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N9O2.C26H25F2N9O2.C24H23F2N9.C24H25F2N9.C22H19F2N9.C22H21F2N9.C18H12F2N8/c1-16-9-31-24-34-33-23(38(24)35-16)27(28,29)21-5-6-22-18(8-21)7-19(10-30-22)20-11-32-37(15-20)14-17-12-36(13-17)25(39)40-26(2,3)4;1-15-9-30-23-33-32-22(37(23)34-15)26(27,28)19-5-6-21-16(8-19)7-17(10-29-21)18-11-31-36(12-18)20-13-35(14-20)24(38)39-25(2,3)4;1-16-12-28-23-31-30-22(35(23)32-16)24(25,26)20-4-5-21-17(11-20)10-18(13-27-21)19-14-29-34(15-19)9-8-33-6-2-3-7-33;1-4-33(5-2)8-9-34-15-19(14-29-34)18-10-17-11-20(6-7-21(17)27-13-18)24(25,26)22-30-31-23-28-12-16(3)32-35(22)23;1-13-7-26-21-29-28-20(33(21)30-13)22(23,24)17-3-4-19-14(6-17)5-15(8-25-19)16-9-27-32(10-16)18-11-31(2)12-18;1-14-10-26-21-29-28-20(33(21)30-14)22(23,24)18-4-5-19-15(9-18)8-16(11-25-19)17-12-27-32(13-17)7-6-31(2)3;1-27-10-13(9-24-27)12-6-11-7-14(2-3-15(11)22-8-12)18(19,20)16-25-26-17-21-4-5-23-28(16)17/h5-11,15,17H,12-14H2,1-4H3;5-12,20H,13-14H2,1-4H3;4-5,10-15H,2-3,6-9H2,1H3;6-7,10-15H,4-5,8-9H2,1-3H3;3-10,18H,11-12H2,1-2H3;4-5,8-13H,6-7H2,1-3H3;2-10H,1H3.
What are the key properties of tert-butyl 3-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]azetidine-1-carboxylate;tert-butyl 3-[[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]methyl]azetidine-1-carboxylate;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]quinoline;2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]-N,N-diethylethanamine;2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]-N,N-dimethylethanamine;6-[difluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline?
tert-butyl 3-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]azetidine-1-carboxylate;tert-butyl 3-[[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]methyl]azetidine-1-carboxylate;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]quinoline;2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]-N,N-diethylethanamine;2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]-N,N-dimethylethanamine;6-[difluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline has a molecular weight of 3309.41 g/mol, XLogP of 24.03, 36 rotatable bonds, 0 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]azetidine-1-carboxylate;tert-butyl 3-[[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]methyl]azetidine-1-carboxylate;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]quinoline;2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]-N,N-diethylethanamine;2-[4-[6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]-N,N-dimethylethanamine;6-[difluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline is sourced from PubChem (CID 160948212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).