2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-5-(4-methoxypiperidin-1-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate

C112H108Br5N33O6 — CID 159347924

IUPAC2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-5-(4-methoxypiperidin-1-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate
SMILESCC(C)(O)C1CCN(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.CCOC(=O)C1(C)CCCN(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)C1.COC1CCN(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.Nc1c(Br)c(N2CCN3C(=O)CCC3C2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(N2CCc3nc[nH]c(=O)c3C2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C24H25BrN6O2.C23H25BrN6O.C22H17BrN8O.C22H20BrN7O.C21H21BrN6O/c1-3-33-23(32)24(2)9-6-10-30(14-24)22-19(25)20(26)31-21(29-22)17(13-28-31)16-11-15-7-4-5-8-18(15)27-12-16;1-23(2,31)16-7-9-29(10-8-16)22-19(24)20(25)30-21(28-22)17(13-27-30)15-11-14-5-3-4-6-18(14)26-12-15;23-18-19(24)31-20(14(9-28-31)13-7-12-3-1-2-4-16(12)25-8-13)29-21(18)30-6-5-17-15(10-30)22(32)27-11-26-17;23-19-20(24)30-21(27-22(19)28-7-8-29-15(12-28)5-6-18(29)31)16(11-26-30)14-9-13-3-1-2-4-17(13)25-10-14;1-29-15-6-8-27(9-7-15)21-18(22)19(23)28-20(26-21)16(12-25-28)14-10-13-4-2-3-5-17(13)24-11-14/h4-5,7-8,11-13H,3,6,9-10,14,26H2,1-2H3;3-6,11-13,16,31H,7-10,25H2,1-2H3;1-4,7-9,11H,5-6,10,24H2,(H,26,27,32);1-4,9-11,15H,5-8,12,24H2;2-5,10-12,15H,6-9,23H2,1H3
InChIKeyLGYOEXITGTVLSU-UHFFFAOYSA-N
MW2411.84 g/mol
LogP18.68
Rot. Bonds14

About 2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-5-(4-methoxypiperidin-1-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate

2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-5-(4-methoxypiperidin-1-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate (PubChem CID 159347924) has the molecular formula C112H108Br5N33O6 and a molecular weight of 2411.84 g/mol. Its IUPAC name is 2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-5-(4-methoxypiperidin-1-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate.

Molecular Properties

Compound Name2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-5-(4-methoxypiperidin-1-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate
PubChem CID159347924
Molecular FormulaC112H108Br5N33O6
Molecular Weight2411.84 g/mol
Exact Mass2405.51
IUPAC Name2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-5-(4-methoxypiperidin-1-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate
SMILESCC(C)(O)C1CCN(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.CCOC(=O)C1(C)CCCN(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)C1.COC1CCN(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.Nc1c(Br)c(N2CCN3C(=O)CCC3C2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(N2CCc3nc[nH]c(=O)c3C2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C24H25BrN6O2.C23H25BrN6O.C22H17BrN8O.C22H20BrN7O.C21H21BrN6O/c1-3-33-23(32)24(2)9-6-10-30(14-24)22-19(25)20(26)31-21(29-22)17(13-28-31)16-11-15-7-4-5-8-18(15)27-12-16;1-23(2,31)16-7-9-29(10-8-16)22-19(24)20(25)30-21(28-22)17(13-27-30)15-11-14-5-3-4-6-18(14)26-12-15;23-18-19(24)31-20(14(9-28-31)13-7-12-3-1-2-4-16(12)25-8-13)29-21(18)30-6-5-17-15(10-30)22(32)27-11-26-17;23-19-20(24)30-21(27-22(19)28-7-8-29-15(12-28)5-6-18(29)31)16(11-26-30)14-9-13-3-1-2-4-17(13)25-10-14;1-29-15-6-8-27(9-7-15)21-18(22)19(23)28-20(26-21)16(12-25-28)14-10-13-4-2-3-5-17(13)24-11-14/h4-5,7-8,11-13H,3,6,9-10,14,26H2,1-2H3;3-6,11-13,16,31H,7-10,25H2,1-2H3;1-4,7-9,11H,5-6,10,24H2,(H,26,27,32);1-4,9-11,15H,5-8,12,24H2;2-5,10-12,15H,6-9,23H2,1H3
InChIKeyLGYOEXITGTVLSU-UHFFFAOYSA-N
XLogP18.68
TPSA483.52 Ų
H-Bond Donors7
H-Bond Acceptors37
Rotatable Bonds14
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002411.84
LogP ≤ 518.68
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1037

Analyze 2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-5-(4-methoxypiperidin-1-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate with MolForge

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Related Compounds

7-[7-Amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;7-[(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;6-bromo-5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157106836
5-(aminomethyl)-1,6-diethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine;tert-butyl (2S)-4-[[3-[5-(aminomethyl)-2-fluorophenyl]phenyl]methyl]-2-methylpiperazine-1-carboxylate;4-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylamino]-2,2-dimethyl-4-oxobutanoic acid;4-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylamino]-3,3-dimethyl-4-oxobutanoic acid;N'-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]-2,2-dimethylbutanediamide;N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-N'-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]-2,2-dimethylbutanediamide;2,2-dimethylbutanedioic acid
CID 157142135
(6S,8aS)-6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;(6S,8aR)-6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;1-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]ethanone;6-bromo-5-(piperazin-1-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157152531
1-[6-Acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-4-carboxylic acid;4-[2-(7-amino-6-bromo-3-naphthalen-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethyl]piperidine-1-carbaldehyde;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2,2-dimethylpentanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-3,3-dimethylpentanoic acid;5-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]pentanoic acid
CID 157272447
1-Acetyl-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylic acid;2-[1-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-4-yl]acetic acid;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-hydroxypiperidin-4-yl]acetic acid;5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxamide;methyl 6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoate
CID 157538517
N-[4-[[[3-bromo-5-[(2S)-2-(hydroxymethyl)-3-methylbutyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]-2-(dimethylamino)acetamide;[(1R,2R)-2-[[3-bromo-7-[(1-methylpyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]methyl]cyclohexyl]methanol;[(1S,2S)-2-[[3-bromo-7-[(1-methylpyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]methyl]cyclohexyl]methanol;2-[(2S)-1-[3-bromo-7-[(1-methylpyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;2-[(2R)-1-[3-bromo-7-[(1-methylpyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;methane
CID 157546082
1-(7-Amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylic acid;1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylic acid
CID 157566661
7-[benzyl(methyl)amino]-N-[(3R)-3-hydroxycyclohexyl]-5-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-[(3R)-3-hydroxycyclohexyl]-7-(methylamino)-5-[1-(oxan-4-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;trans-(1R,3R)-3-aminocyclohexan-1-ol
CID 157728764
N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-(2,3-dihydroxypropoxy)propanamide;(2S,4R)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide;(2R)-N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxy-2-methylpropanamide;N-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]-3-hydroxypropanamide;methyl 1-[1-[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethylcarbamoyl]cyclopropane-1-carboxylate
CID 157732050
CID 158100065
CID 158100065
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
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

Frequently Asked Questions

What is the IUPAC name of 2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-5-(4-methoxypiperidin-1-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate?
The IUPAC name of 2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-5-(4-methoxypiperidin-1-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate (CID 159347924) is 2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-5-(4-methoxypiperidin-1-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate.
What is the SMILES notation for 2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-5-(4-methoxypiperidin-1-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate?
The canonical SMILES for 2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-5-(4-methoxypiperidin-1-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate is CC(C)(O)C1CCN(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.CCOC(=O)C1(C)CCCN(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)C1.COC1CCN(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.Nc1c(Br)c(N2CCN3C(=O)CCC3C2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(N2CCc3nc[nH]c(=O)c3C2)nc2c(-c3cnc4ccccc4c3)cnn12.
What is the InChIKey of 2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-5-(4-methoxypiperidin-1-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate?
The InChIKey is LGYOEXITGTVLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN6O2.C23H25BrN6O.C22H17BrN8O.C22H20BrN7O.C21H21BrN6O/c1-3-33-23(32)24(2)9-6-10-30(14-24)22-19(25)20(26)31-21(29-22)17(13-28-31)16-11-15-7-4-5-8-18(15)27-12-16;1-23(2,31)16-7-9-29(10-8-16)22-19(24)20(25)30-21(28-22)17(13-27-30)15-11-14-5-3-4-6-18(14)26-12-15;23-18-19(24)31-20(14(9-28-31)13-7-12-3-1-2-4-16(12)25-8-13)29-21(18)30-6-5-17-15(10-30)22(32)27-11-26-17;23-19-20(24)30-21(27-22(19)28-7-8-29-15(12-28)5-6-18(29)31)16(11-26-30)14-9-13-3-1-2-4-17(13)25-10-14;1-29-15-6-8-27(9-7-15)21-18(22)19(23)28-20(26-21)16(12-25-28)14-10-13-4-2-3-5-17(13)24-11-14/h4-5,7-8,11-13H,3,6,9-10,14,26H2,1-2H3;3-6,11-13,16,31H,7-10,25H2,1-2H3;1-4,7-9,11H,5-6,10,24H2,(H,26,27,32);1-4,9-11,15H,5-8,12,24H2;2-5,10-12,15H,6-9,23H2,1H3.
What are the key properties of 2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-5-(4-methoxypiperidin-1-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate?
2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-5-(4-methoxypiperidin-1-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate has a molecular weight of 2411.84 g/mol, XLogP of 18.68, 14 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]propan-2-ol;6-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one;6-bromo-5-(4-methoxypiperidin-1-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethyl 1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methylpiperidine-3-carboxylate is sourced from PubChem (CID 159347924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).