(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-one;(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3-dimethyl-4,6,7,7a-tetrahydro-3aH-imidazo[4,5-c]pyridin-2-one;(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methyl-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one;8-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,8-diazaspiro[4.5]decan-1-one;7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

C109H102Br4N38O5 — CID 159123131

IUPAC(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-one;(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3-dimethyl-4,6,7,7a-tetrahydro-3aH-imidazo[4,5-c]pyridin-2-one;(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methyl-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one;8-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,8-diazaspiro[4.5]decan-1-one;7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCN1C(=O)N(C)[C@H]2CCN(c3nc4c(-c5cnc6ccccc6c5)cnn4c(N)c3Br)C[C@H]21.CN1C(=O)N[C@H]2CCN(c3nc4c(-c5cnc6ccccc6c5)cnn4c(N)c3Br)C[C@H]21.N#Cc1c(N2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N.Nc1c(Br)c(N2CCC3(CCNC3=O)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(N2CC[C@@H]3NC(=O)N[C@@H]3C2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C23H23BrN8O.C23H22BrN7O.C22H21BrN8O.C21H19BrN8O.C20H17N7O/c1-29-17-7-8-31(12-18(17)30(2)23(29)33)22-19(24)20(25)32-21(28-22)15(11-27-32)14-9-13-5-3-4-6-16(13)26-10-14;24-18-19(25)31-20(16(13-28-31)15-11-14-3-1-2-4-17(14)27-12-15)29-21(18)30-9-6-23(7-10-30)5-8-26-22(23)32;1-29-17-11-30(7-6-16(17)27-22(29)32)21-18(23)19(24)31-20(28-21)14(10-26-31)13-8-12-4-2-3-5-15(12)25-9-13;22-17-18(23)30-19(28-20(17)29-6-5-15-16(10-29)27-21(31)26-15)13(9-25-30)12-7-11-3-1-2-4-14(11)24-8-12;21-10-15-18(22)27-20(25-19(15)26-5-7-28-8-6-26)16(12-24-27)14-9-13-3-1-2-4-17(13)23-11-14/h3-6,9-11,17-18H,7-8,12,25H2,1-2H3;1-4,11-13H,5-10,25H2,(H,26,32);2-5,8-10,16-17H,6-7,11,24H2,1H3,(H,27,32);1-4,7-9,15-16H,5-6,10,23H2,(H2,26,27,31);1-4,9,11-12H,5-8,22H2/t17-,18+;;16-,17+;15-,16+;/m0.00./s1
InChIKeyKFYHDEGIICMDSG-PDFVSXTQSA-N
MW2343.89 g/mol
LogP14.31
Rot. Bonds10

About (3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-one;(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3-dimethyl-4,6,7,7a-tetrahydro-3aH-imidazo[4,5-c]pyridin-2-one;(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methyl-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one;8-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,8-diazaspiro[4.5]decan-1-one;7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-one;(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3-dimethyl-4,6,7,7a-tetrahydro-3aH-imidazo[4,5-c]pyridin-2-one;(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methyl-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one;8-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,8-diazaspiro[4.5]decan-1-one;7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 159123131) has the molecular formula C109H102Br4N38O5 and a molecular weight of 2343.89 g/mol. Its IUPAC name is (3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-one;(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3-dimethyl-4,6,7,7a-tetrahydro-3aH-imidazo[4,5-c]pyridin-2-one;(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methyl-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one;8-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,8-diazaspiro[4.5]decan-1-one;7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-one;(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3-dimethyl-4,6,7,7a-tetrahydro-3aH-imidazo[4,5-c]pyridin-2-one;(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methyl-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one;8-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,8-diazaspiro[4.5]decan-1-one;7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID159123131
Molecular FormulaC109H102Br4N38O5
Molecular Weight2343.89 g/mol
Exact Mass2338.56
IUPAC Name(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-one;(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3-dimethyl-4,6,7,7a-tetrahydro-3aH-imidazo[4,5-c]pyridin-2-one;(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methyl-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one;8-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,8-diazaspiro[4.5]decan-1-one;7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCN1C(=O)N(C)[C@H]2CCN(c3nc4c(-c5cnc6ccccc6c5)cnn4c(N)c3Br)C[C@H]21.CN1C(=O)N[C@H]2CCN(c3nc4c(-c5cnc6ccccc6c5)cnn4c(N)c3Br)C[C@H]21.N#Cc1c(N2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N.Nc1c(Br)c(N2CCC3(CCNC3=O)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(N2CC[C@@H]3NC(=O)N[C@@H]3C2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C23H23BrN8O.C23H22BrN7O.C22H21BrN8O.C21H19BrN8O.C20H17N7O/c1-29-17-7-8-31(12-18(17)30(2)23(29)33)22-19(24)20(25)32-21(28-22)15(11-27-32)14-9-13-5-3-4-6-16(13)26-10-14;24-18-19(25)31-20(16(13-28-31)15-11-14-3-1-2-4-17(14)27-12-15)29-21(18)30-9-6-23(7-10-30)5-8-26-22(23)32;1-29-17-11-30(7-6-16(17)27-22(29)32)21-18(23)19(24)31-20(28-21)14(10-26-31)13-8-12-4-2-3-5-15(12)25-9-13;22-17-18(23)30-19(28-20(17)29-6-5-15-16(10-29)27-21(31)26-15)13(9-25-30)12-7-11-3-1-2-4-14(11)24-8-12;21-10-15-18(22)27-20(25-19(15)26-5-7-28-8-6-26)16(12-24-27)14-9-13-3-1-2-4-17(13)23-11-14/h3-6,9-11,17-18H,7-8,12,25H2,1-2H3;1-4,11-13H,5-10,25H2,(H,26,32);2-5,8-10,16-17H,6-7,11,24H2,1H3,(H,27,32);1-4,7-9,15-16H,5-6,10,23H2,(H2,26,27,31);1-4,9,11-12H,5-8,22H2/t17-,18+;;16-,17+;15-,16+;/m0.00./s1
InChIKeyKFYHDEGIICMDSG-PDFVSXTQSA-N
XLogP14.31
TPSA520.84 Ų
H-Bond Donors9
H-Bond Acceptors36
Rotatable Bonds10
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002343.89
LogP ≤ 514.31
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1036

Analyze (3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-one;(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3-dimethyl-4,6,7,7a-tetrahydro-3aH-imidazo[4,5-c]pyridin-2-one;(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methyl-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one;8-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,8-diazaspiro[4.5]decan-1-one;7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile with MolForge

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Related Compounds

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
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
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
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
N-methyl-N-(2-morpholin-4-ylethyl)-8-propan-2-yl-4-[(2-pyrazol-1-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazine-2-carboxamide;N-methyl-8-propan-2-yl-4-[(2-pyrazol-1-ylphenyl)methylamino]-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a][1,3,5]triazine-2-carboxamide;piperazin-1-yl-[8-propan-2-yl-4-[(2-pyrazol-1-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]methanone
CID 89784725
7-[(2E)-2-[1-[(E)-1-amino-2-bromoethenyl]-4-quinolin-3-ylpyrazol-5-yl]iminopropyl]-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
CID 144072877
7-[9-amino-8-bromo-4-(1-methylpyrazol-4-yl)-1H-1,2,6-triazonin-7-yl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 144073242
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
4-methyl-N-[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperazine-1-carboxamide;1-methyl-N-[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]piperidine-4-carboxamide;N-[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-(4-pyridin-2-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide;N-[5-[3-(4-pyridin-4-yl-1H-indol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 157141702
(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
5-[(3aR,7aS)-3-methyl-2-oxo-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-5-yl]-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;N-[[1-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]methyl]methanesulfonamide;6-bromo-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)piperidin-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonyl-1,4-diazepan-1-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157163671

Frequently Asked Questions

What is the IUPAC name of (3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-one;(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3-dimethyl-4,6,7,7a-tetrahydro-3aH-imidazo[4,5-c]pyridin-2-one;(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methyl-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one;8-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,8-diazaspiro[4.5]decan-1-one;7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of (3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-one;(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3-dimethyl-4,6,7,7a-tetrahydro-3aH-imidazo[4,5-c]pyridin-2-one;(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methyl-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one;8-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,8-diazaspiro[4.5]decan-1-one;7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 159123131) is (3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-one;(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3-dimethyl-4,6,7,7a-tetrahydro-3aH-imidazo[4,5-c]pyridin-2-one;(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methyl-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one;8-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,8-diazaspiro[4.5]decan-1-one;7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for (3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-one;(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3-dimethyl-4,6,7,7a-tetrahydro-3aH-imidazo[4,5-c]pyridin-2-one;(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methyl-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one;8-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,8-diazaspiro[4.5]decan-1-one;7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for (3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-one;(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3-dimethyl-4,6,7,7a-tetrahydro-3aH-imidazo[4,5-c]pyridin-2-one;(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methyl-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one;8-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,8-diazaspiro[4.5]decan-1-one;7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is CN1C(=O)N(C)[C@H]2CCN(c3nc4c(-c5cnc6ccccc6c5)cnn4c(N)c3Br)C[C@H]21.CN1C(=O)N[C@H]2CCN(c3nc4c(-c5cnc6ccccc6c5)cnn4c(N)c3Br)C[C@H]21.N#Cc1c(N2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N.Nc1c(Br)c(N2CCC3(CCNC3=O)CC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(N2CC[C@@H]3NC(=O)N[C@@H]3C2)nc2c(-c3cnc4ccccc4c3)cnn12.
What is the InChIKey of (3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-one;(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3-dimethyl-4,6,7,7a-tetrahydro-3aH-imidazo[4,5-c]pyridin-2-one;(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methyl-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one;8-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,8-diazaspiro[4.5]decan-1-one;7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is KFYHDEGIICMDSG-PDFVSXTQSA-N. The full InChI is InChI=1S/C23H23BrN8O.C23H22BrN7O.C22H21BrN8O.C21H19BrN8O.C20H17N7O/c1-29-17-7-8-31(12-18(17)30(2)23(29)33)22-19(24)20(25)32-21(28-22)15(11-27-32)14-9-13-5-3-4-6-16(13)26-10-14;24-18-19(25)31-20(16(13-28-31)15-11-14-3-1-2-4-17(14)27-12-15)29-21(18)30-9-6-23(7-10-30)5-8-26-22(23)32;1-29-17-11-30(7-6-16(17)27-22(29)32)21-18(23)19(24)31-20(28-21)14(10-26-31)13-8-12-4-2-3-5-15(12)25-9-13;22-17-18(23)30-19(28-20(17)29-6-5-15-16(10-29)27-21(31)26-15)13(9-25-30)12-7-11-3-1-2-4-14(11)24-8-12;21-10-15-18(22)27-20(25-19(15)26-5-7-28-8-6-26)16(12-24-27)14-9-13-3-1-2-4-17(13)23-11-14/h3-6,9-11,17-18H,7-8,12,25H2,1-2H3;1-4,11-13H,5-10,25H2,(H,26,32);2-5,8-10,16-17H,6-7,11,24H2,1H3,(H,27,32);1-4,7-9,15-16H,5-6,10,23H2,(H2,26,27,31);1-4,9,11-12H,5-8,22H2/t17-,18+;;16-,17+;15-,16+;/m0.00./s1.
What are the key properties of (3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-one;(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3-dimethyl-4,6,7,7a-tetrahydro-3aH-imidazo[4,5-c]pyridin-2-one;(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methyl-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one;8-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,8-diazaspiro[4.5]decan-1-one;7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-one;(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3-dimethyl-4,6,7,7a-tetrahydro-3aH-imidazo[4,5-c]pyridin-2-one;(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methyl-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one;8-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,8-diazaspiro[4.5]decan-1-one;7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 2343.89 g/mol, XLogP of 14.31, 10 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,3a,4,6,7,7a-hexahydro-1H-imidazo[4,5-c]pyridin-2-one;(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3-dimethyl-4,6,7,7a-tetrahydro-3aH-imidazo[4,5-c]pyridin-2-one;(3aR,7aS)-5-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-methyl-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one;8-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2,8-diazaspiro[4.5]decan-1-one;7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 159123131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).