1-[4-[[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-methoxyethanone;1-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one;methyl 4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidine-1-carboxylate

C123H134Br5FN36O7 — CID 158415308

IUPAC1-[4-[[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-methoxyethanone;1-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one;methyl 4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidine-1-carboxylate
SMILESCC(=O)N1CCC(NCc2nc3c(-c4ccc(-c5ccc(F)cc5)nc4)cnn3c(N)c2Br)CC1.CC(C)C(=O)N1CCC(NCc2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.COC(=O)N1CCC(NCc2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.COCC(=O)N1CCC(NCc2nc3c(-c4cnc5ccc(C)cc5c4)cnn3c(N)c2Br)CC1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(CNC5CCN(C(=O)N(C)C)CC5)nc34)cc2c1
InChIInChI=1S/C25H25BrFN7O.C25H29BrN8O.C25H28BrN7O2.C25H28BrN7O.C23H24BrN7O2/c1-15(35)33-10-8-19(9-11-33)29-14-22-23(26)24(28)34-25(32-22)20(13-31-34)17-4-7-21(30-12-17)16-2-5-18(27)6-3-16;1-15-4-5-20-16(10-15)11-17(12-29-20)19-13-30-34-23(27)22(26)21(31-24(19)34)14-28-18-6-8-33(9-7-18)25(35)32(2)3;1-15-3-4-20-16(9-15)10-17(11-29-20)19-12-30-33-24(27)23(26)21(31-25(19)33)13-28-18-5-7-32(8-6-18)22(34)14-35-2;1-15(2)25(34)32-9-7-18(8-10-32)28-14-21-22(26)23(27)33-24(31-21)19(13-30-33)17-11-16-5-3-4-6-20(16)29-12-17;1-33-23(32)30-8-6-16(7-9-30)26-13-19-20(24)21(25)31-22(29-19)17(12-28-31)15-10-14-4-2-3-5-18(14)27-11-15/h2-7,12-13,19,29H,8-11,14,28H2,1H3;4-5,10-13,18,28H,6-9,14,27H2,1-3H3;3-4,9-12,18,28H,5-8,13-14,27H2,1-2H3;3-6,11-13,15,18,28H,7-10,14,27H2,1-2H3;2-5,10-12,16,26H,6-9,13,25H2,1H3
InChIKeyGZUZVECLDPRIKX-UHFFFAOYSA-N
MW2647.19 g/mol
LogP18.84
Rot. Bonds24

About 1-[4-[[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-methoxyethanone;1-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one;methyl 4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidine-1-carboxylate

1-[4-[[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-methoxyethanone;1-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one;methyl 4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidine-1-carboxylate (PubChem CID 158415308) has the molecular formula C123H134Br5FN36O7 and a molecular weight of 2647.19 g/mol. Its IUPAC name is 1-[4-[[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-methoxyethanone;1-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one;methyl 4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Name1-[4-[[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-methoxyethanone;1-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one;methyl 4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidine-1-carboxylate
PubChem CID158415308
Molecular FormulaC123H134Br5FN36O7
Molecular Weight2647.19 g/mol
Exact Mass2640.71
IUPAC Name1-[4-[[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-methoxyethanone;1-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one;methyl 4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidine-1-carboxylate
SMILESCC(=O)N1CCC(NCc2nc3c(-c4ccc(-c5ccc(F)cc5)nc4)cnn3c(N)c2Br)CC1.CC(C)C(=O)N1CCC(NCc2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.COC(=O)N1CCC(NCc2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.COCC(=O)N1CCC(NCc2nc3c(-c4cnc5ccc(C)cc5c4)cnn3c(N)c2Br)CC1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(CNC5CCN(C(=O)N(C)C)CC5)nc34)cc2c1
InChIInChI=1S/C25H25BrFN7O.C25H29BrN8O.C25H28BrN7O2.C25H28BrN7O.C23H24BrN7O2/c1-15(35)33-10-8-19(9-11-33)29-14-22-23(26)24(28)34-25(32-22)20(13-31-34)17-4-7-21(30-12-17)16-2-5-18(27)6-3-16;1-15-4-5-20-16(10-15)11-17(12-29-20)19-13-30-34-23(27)22(26)21(31-24(19)34)14-28-18-6-8-33(9-7-18)25(35)32(2)3;1-15-3-4-20-16(9-15)10-17(11-29-20)19-12-30-33-24(27)23(26)21(31-25(19)33)13-28-18-5-7-32(8-6-18)22(34)14-35-2;1-15(2)25(34)32-9-7-18(8-10-32)28-14-21-22(26)23(27)33-24(31-21)19(13-30-33)17-11-16-5-3-4-6-20(16)29-12-17;1-33-23(32)30-8-6-16(7-9-30)26-13-19-20(24)21(25)31-22(29-19)17(12-28-31)15-10-14-4-2-3-5-18(14)27-11-15/h2-7,12-13,19,29H,8-11,14,28H2,1H3;4-5,10-13,18,28H,6-9,14,27H2,1-3H3;3-4,9-12,18,28H,5-8,13-14,27H2,1-2H3;3-6,11-13,15,18,28H,7-10,14,27H2,1-2H3;2-5,10-12,16,26H,6-9,13,25H2,1H3
InChIKeyGZUZVECLDPRIKX-UHFFFAOYSA-N
XLogP18.84
TPSA528.90 Ų
H-Bond Donors10
H-Bond Acceptors37
Rotatable Bonds24
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002647.19
LogP ≤ 518.84
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1037

Analyze 1-[4-[[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-methoxyethanone;1-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one;methyl 4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[[7-Amino-6-bromo-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-methoxypropan-1-one
CID 66739962
1-[4-[[7-Amino-6-bromo-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-methoxyethanone
CID 70217088
2-[3-[7-Amino-6-bromo-5-[(piperidin-4-ylamino)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-6-yl]-1-[4-[[6-bromo-3-(6-fluoro-4a,5-dihydroquinolin-3-yl)-7-methylpyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone
CID 91034092
1-[4-[[7-Amino-6-bromo-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-[3-[6-bromo-7-methyl-5-[(piperidin-4-ylamino)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-6-yl]ethanone
CID 91249394
4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-2-one;1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one;7-amino-5-(1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 157604802
4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-2-one;N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide;1-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]pyrrolidin-2-one;6-bromo-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 159054750
sodium;1-bromopentane;deuterio(fluoro)methane;hydride;4-[6-(1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;methane;4-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]indol-1-yl]butan-1-amine;4-[6-(1-pentylindol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;2,2,2-trifluoroacetic acid
CID 159131798
sodium;1-bromopentane;deuterio(fluoro)methane;hydride;4-[6-(1H-indol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[5-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]indol-1-yl]butan-1-amine;4-[6-(1-pentylindol-5-yl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;2,2,2-trifluoroacetic acid
CID 160579443
(3E)-3-[[7-(cyclopropylamino)-5-[4-(dimethylamino)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[3-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 160705492
3,3-difluoro-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;(3R)-3-fluoro-N-[(1R)-3-[[5-fluoro-2-(5-fluoro-1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1R)-3-[[5-fluoro-2-(5-fluoro-1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]methyl]cyclohexyl]morpholine-4-carboxamide;(2S)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-2-methylpyrrolidine-1-carboxamide;N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide;N-[(1R)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide
CID 160957594
2-[3-(7-Amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-1-yl]-2-oxoacetic acid;6-bromo-5-(1-ethylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-bromo-5-(1-methylsulfonylpyrrolidin-3-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);6-bromo-3-quinolin-3-yl-5-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 161324411
1-[(E)-1-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]imidazolidine-2,4-dione;1-[(E)-1-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]imidazolidin-2-one;N-[(E)-1-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]-2-morpholin-4-ylacetamide;[(E)-1-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]urea;1-methyl-1-[(E)-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]urea;1-[(E)-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]imidazolidine-2,4-dione;[(E)-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylideneamino]urea
CID 172917277

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-methoxyethanone;1-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one;methyl 4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidine-1-carboxylate?
The IUPAC name of 1-[4-[[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-methoxyethanone;1-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one;methyl 4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidine-1-carboxylate (CID 158415308) is 1-[4-[[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-methoxyethanone;1-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one;methyl 4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidine-1-carboxylate.
What is the SMILES notation for 1-[4-[[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-methoxyethanone;1-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one;methyl 4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidine-1-carboxylate?
The canonical SMILES for 1-[4-[[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-methoxyethanone;1-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one;methyl 4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidine-1-carboxylate is CC(=O)N1CCC(NCc2nc3c(-c4ccc(-c5ccc(F)cc5)nc4)cnn3c(N)c2Br)CC1.CC(C)C(=O)N1CCC(NCc2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.COC(=O)N1CCC(NCc2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.COCC(=O)N1CCC(NCc2nc3c(-c4cnc5ccc(C)cc5c4)cnn3c(N)c2Br)CC1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(CNC5CCN(C(=O)N(C)C)CC5)nc34)cc2c1.
What is the InChIKey of 1-[4-[[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-methoxyethanone;1-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one;methyl 4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidine-1-carboxylate?
The InChIKey is GZUZVECLDPRIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrFN7O.C25H29BrN8O.C25H28BrN7O2.C25H28BrN7O.C23H24BrN7O2/c1-15(35)33-10-8-19(9-11-33)29-14-22-23(26)24(28)34-25(32-22)20(13-31-34)17-4-7-21(30-12-17)16-2-5-18(27)6-3-16;1-15-4-5-20-16(10-15)11-17(12-29-20)19-13-30-34-23(27)22(26)21(31-24(19)34)14-28-18-6-8-33(9-7-18)25(35)32(2)3;1-15-3-4-20-16(9-15)10-17(11-29-20)19-12-30-33-24(27)23(26)21(31-25(19)33)13-28-18-5-7-32(8-6-18)22(34)14-35-2;1-15(2)25(34)32-9-7-18(8-10-32)28-14-21-22(26)23(27)33-24(31-21)19(13-30-33)17-11-16-5-3-4-6-20(16)29-12-17;1-33-23(32)30-8-6-16(7-9-30)26-13-19-20(24)21(25)31-22(29-19)17(12-28-31)15-10-14-4-2-3-5-18(14)27-11-15/h2-7,12-13,19,29H,8-11,14,28H2,1H3;4-5,10-13,18,28H,6-9,14,27H2,1-3H3;3-4,9-12,18,28H,5-8,13-14,27H2,1-2H3;3-6,11-13,15,18,28H,7-10,14,27H2,1-2H3;2-5,10-12,16,26H,6-9,13,25H2,1H3.
What are the key properties of 1-[4-[[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-methoxyethanone;1-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one;methyl 4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidine-1-carboxylate?
1-[4-[[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-methoxyethanone;1-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one;methyl 4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidine-1-carboxylate has a molecular weight of 2647.19 g/mol, XLogP of 18.84, 24 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-methoxyethanone;1-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one;methyl 4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 158415308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).