7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[1-[3-(7-fluoro-6-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine;7-methoxy-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline

C104H119F2N27O4 — CID 159286444

IUPAC7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[1-[3-(7-fluoro-6-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine;7-methoxy-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline
SMILESCN1CCN(C2CCN(c3cnc4c(-c5ccnc6cc7c(cc56)OCO7)cnn4c3)CC2)CC1.COc1cc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2cc1C.Cc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)ccnc2cc1F.Cc1cc2c(-c3cnn4cc(N5CCC(N6CCOCC6)CC5)cnc34)ccnc2cc1F
InChIInChI=1S/C27H33N7O.C26H30FN7.C26H29N7O2.C25H27FN6O/c1-19-14-23-22(4-7-28-25(23)15-26(19)35-3)24-17-30-34-18-21(16-29-27(24)34)32-8-5-20(6-9-32)33-12-10-31(2)11-13-33;1-18-13-22-21(3-6-28-25(22)14-24(18)27)23-16-30-34-17-20(15-29-26(23)34)32-7-4-19(5-8-32)33-11-9-31(2)10-12-33;1-30-8-10-32(11-9-30)18-3-6-31(7-4-18)19-14-28-26-22(15-29-33(26)16-19)20-2-5-27-23-13-25-24(12-21(20)23)34-17-35-25;1-17-12-21-20(2-5-27-24(21)13-23(17)26)22-15-29-32-16-19(14-28-25(22)32)30-6-3-18(4-7-30)31-8-10-33-11-9-31/h4,7,14-18,20H,5-6,8-13H2,1-3H3;3,6,13-17,19H,4-5,7-12H2,1-2H3;2,5,12-16,18H,3-4,6-11,17H2,1H3;2,5,12-16,18H,3-4,6-11H2,1H3
InChIKeyKZOMSYFYBDNJSI-UHFFFAOYSA-N
MW1849.28 g/mol
LogP13.67
Rot. Bonds13

About 7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[1-[3-(7-fluoro-6-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine;7-methoxy-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline

7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[1-[3-(7-fluoro-6-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine;7-methoxy-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline (PubChem CID 159286444) has the molecular formula C104H119F2N27O4 and a molecular weight of 1849.28 g/mol. Its IUPAC name is 7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[1-[3-(7-fluoro-6-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine;7-methoxy-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline.

Molecular Properties

Compound Name7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[1-[3-(7-fluoro-6-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine;7-methoxy-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline
PubChem CID159286444
Molecular FormulaC104H119F2N27O4
Molecular Weight1849.28 g/mol
Exact Mass1847.99
IUPAC Name7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[1-[3-(7-fluoro-6-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine;7-methoxy-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline
SMILESCN1CCN(C2CCN(c3cnc4c(-c5ccnc6cc7c(cc56)OCO7)cnn4c3)CC2)CC1.COc1cc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2cc1C.Cc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)ccnc2cc1F.Cc1cc2c(-c3cnn4cc(N5CCC(N6CCOCC6)CC5)cnc34)ccnc2cc1F
InChIInChI=1S/C27H33N7O.C26H30FN7.C26H29N7O2.C25H27FN6O/c1-19-14-23-22(4-7-28-25(23)15-26(19)35-3)24-17-30-34-18-21(16-29-27(24)34)32-8-5-20(6-9-32)33-12-10-31(2)11-13-33;1-18-13-22-21(3-6-28-25(22)14-24(18)27)23-16-30-34-17-20(15-29-26(23)34)32-7-4-19(5-8-32)33-11-9-31(2)10-12-33;1-30-8-10-32(11-9-30)18-3-6-31(7-4-18)19-14-28-26-22(15-29-33(26)16-19)20-2-5-27-23-13-25-24(12-21(20)23)34-17-35-25;1-17-12-21-20(2-5-27-24(21)13-23(17)26)22-15-29-32-16-19(14-28-25(22)32)30-6-3-18(4-7-30)31-8-10-33-11-9-31/h4,7,14-18,20H,5-6,8-13H2,1-3H3;3,6,13-17,19H,4-5,7-12H2,1-2H3;2,5,12-16,18H,3-4,6-11,17H2,1H3;2,5,12-16,18H,3-4,6-11H2,1H3
InChIKeyKZOMSYFYBDNJSI-UHFFFAOYSA-N
XLogP13.67
TPSA244.88 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds13
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001849.28
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[1-[3-(7-fluoro-6-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine;7-methoxy-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline with MolForge

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Related Compounds

8-[6-[4-(4-Methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline
CID 142464281
6,7-Dimethoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 142464352
15-[[12,12-Difluoro-4-[[methyl-(3,3,7,7-tetrafluoro-6-iminodec-4-en-4-yl)amino]methyl]-11,13-dioxa-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),2,4,7,10(14),15-hexaen-7-yl]methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]-12,12-difluoro-11,13-dioxa-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),2,4,7,10(14),15-hexaen-7-amine
CID 123579091
N-(1,3-benzodioxol-5-yl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-N,2-N-dimethyl-5-N-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]pyridine-2,5-diamine;2-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)pyrimidin-4-amine;N-(6-methoxy-3-pyridinyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
CID 157235959
6-(4-Fluorophenyl)-3-[(6-methoxynaphthalen-1-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridine;4-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;3-[(6-methoxynaphthalen-1-yl)oxymethyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;7-methoxy-4-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline
CID 157351998
2,2-Difluoro-4-methyl-1,3-benzodioxole;5,6-dimethylimidazo[1,2-a]pyridine;1,6-dimethylpyrazolo[4,5-c]pyridine;3-methylimidazo[1,2-a]pyridine;1-methylindazole;8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 157534491
4-tert-butyl-1,3-benzodioxole;3-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-tert-butyl-2-methyl-3a,4,5,6-tetrahydrocyclopenta[b]pyrrole;6-tert-butyl-1-methyl-2,4-dihydropyrido[2,3-d][1,3]oxazine;3-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;3,4-dihydro-2H-chromene;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;octakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline
CID 157623029
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
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
5-[[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-[(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-(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 158086251
4-N-(1,3-benzodioxol-5-yl)-2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;2-(4,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;2-(5,7-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;5-fluoro-4-N-(4-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidine-4,6-diamine
CID 158438987
2-[[4-(1,3-benzodioxol-5-ylamino)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]ethanol;2-N-(1,3-benzodioxol-5-yl)-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-quinolin-3-yl-1,3,5-triazine-2,4-diamine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 158466051

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[1-[3-(7-fluoro-6-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine;7-methoxy-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline?
The IUPAC name of 7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[1-[3-(7-fluoro-6-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine;7-methoxy-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline (CID 159286444) is 7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[1-[3-(7-fluoro-6-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine;7-methoxy-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline.
What is the SMILES notation for 7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[1-[3-(7-fluoro-6-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine;7-methoxy-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline?
The canonical SMILES for 7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[1-[3-(7-fluoro-6-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine;7-methoxy-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline is CN1CCN(C2CCN(c3cnc4c(-c5ccnc6cc7c(cc56)OCO7)cnn4c3)CC2)CC1.COc1cc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2cc1C.Cc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)ccnc2cc1F.Cc1cc2c(-c3cnn4cc(N5CCC(N6CCOCC6)CC5)cnc34)ccnc2cc1F.
What is the InChIKey of 7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[1-[3-(7-fluoro-6-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine;7-methoxy-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline?
The InChIKey is KZOMSYFYBDNJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O.C26H30FN7.C26H29N7O2.C25H27FN6O/c1-19-14-23-22(4-7-28-25(23)15-26(19)35-3)24-17-30-34-18-21(16-29-27(24)34)32-8-5-20(6-9-32)33-12-10-31(2)11-13-33;1-18-13-22-21(3-6-28-25(22)14-24(18)27)23-16-30-34-17-20(15-29-26(23)34)32-7-4-19(5-8-32)33-11-9-31(2)10-12-33;1-30-8-10-32(11-9-30)18-3-6-31(7-4-18)19-14-28-26-22(15-29-33(26)16-19)20-2-5-27-23-13-25-24(12-21(20)23)34-17-35-25;1-17-12-21-20(2-5-27-24(21)13-23(17)26)22-15-29-32-16-19(14-28-25(22)32)30-6-3-18(4-7-30)31-8-10-33-11-9-31/h4,7,14-18,20H,5-6,8-13H2,1-3H3;3,6,13-17,19H,4-5,7-12H2,1-2H3;2,5,12-16,18H,3-4,6-11,17H2,1H3;2,5,12-16,18H,3-4,6-11H2,1H3.
What are the key properties of 7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[1-[3-(7-fluoro-6-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine;7-methoxy-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline?
7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[1-[3-(7-fluoro-6-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine;7-methoxy-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline has a molecular weight of 1849.28 g/mol, XLogP of 13.67, 13 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[1-[3-(7-fluoro-6-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]morpholine;7-methoxy-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline is sourced from PubChem (CID 159286444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).