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-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;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

C122H131Br5FN37O6 — CID 158144359

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-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;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(=O)N1CCC(NCc2nc3c(-c4ccc(-c5cccnc5)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.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(CNC5CCN(C(=O)N(C)C)CC5)nc34)cc2c1
InChIInChI=1S/C25H25BrFN7O.C25H29BrN8O.C25H28BrN7O.C24H25BrN8O.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(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;1-15(34)32-9-6-18(7-10-32)28-14-21-22(25)23(26)33-24(31-21)19(13-30-33)16-4-5-20(29-12-16)17-3-2-8-27-11-17;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;3-6,11-13,15,18,28H,7-10,14,27H2,1-2H3;2-5,8,11-13,18,28H,6-7,9-10,14,26H2,1H3;2-5,10-12,16,26H,6-9,13,25H2,1H3
InChIKeyFUIHYZAFOSJFQV-UHFFFAOYSA-N
MW2630.16 g/mol
LogP18.81
Rot. Bonds23

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-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;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-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;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 158144359) has the molecular formula C122H131Br5FN37O6 and a molecular weight of 2630.16 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-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;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-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;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 CID158144359
Molecular FormulaC122H131Br5FN37O6
Molecular Weight2630.16 g/mol
Exact Mass2623.70
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-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;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(=O)N1CCC(NCc2nc3c(-c4ccc(-c5cccnc5)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.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(CNC5CCN(C(=O)N(C)C)CC5)nc34)cc2c1
InChIInChI=1S/C25H25BrFN7O.C25H29BrN8O.C25H28BrN7O.C24H25BrN8O.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(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;1-15(34)32-9-6-18(7-10-32)28-14-21-22(25)23(26)33-24(31-21)19(13-30-33)16-4-5-20(29-12-16)17-3-2-8-27-11-17;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;3-6,11-13,15,18,28H,7-10,14,27H2,1-2H3;2-5,8,11-13,18,28H,6-7,9-10,14,26H2,1H3;2-5,10-12,16,26H,6-9,13,25H2,1H3
InChIKeyFUIHYZAFOSJFQV-UHFFFAOYSA-N
XLogP18.81
TPSA532.56 Ų
H-Bond Donors10
H-Bond Acceptors37
Rotatable Bonds23
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002630.16
LogP ≤ 518.81
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-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;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

Ethyl 4-[[7-amino-6-bromo-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidine-1-carboxylate
CID 68074475
1-[4-[[7-Amino-6-bromo-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 68074481
1-[4-[[7-Amino-6-bromo-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]propan-1-one
CID 68074489
Methyl 4-[[7-amino-6-bromo-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidine-1-carboxylate
CID 68074493
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
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;7-amino-3-quinolin-3-yl-5-thiomorpholin-4-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 157841351
7-(4-amino-4-methylpiperidin-1-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;7-(3-aminoprop-1-ynyl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one
CID 157884369
7-(4-amino-4-methylpiperidin-1-yl)-2-(4-ethyl-6-methylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2,7-dimethylindazol-5-yl)-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;7-[(3S)-3-methylpiperazin-1-yl]-2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one
CID 158189510
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;6-[difluoro-[6-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline;methane
CID 159036506
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

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-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;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-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;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 158144359) 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-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;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-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;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-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;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(=O)N1CCC(NCc2nc3c(-c4ccc(-c5cccnc5)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.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-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;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 FUIHYZAFOSJFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrFN7O.C25H29BrN8O.C25H28BrN7O.C24H25BrN8O.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(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;1-15(34)32-9-6-18(7-10-32)28-14-21-22(25)23(26)33-24(31-21)19(13-30-33)16-4-5-20(29-12-16)17-3-2-8-27-11-17;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;3-6,11-13,15,18,28H,7-10,14,27H2,1-2H3;2-5,8,11-13,18,28H,6-7,9-10,14,26H2,1H3;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-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;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-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;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 2630.16 g/mol, XLogP of 18.81, 23 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-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;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 158144359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).