6-bromo-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,4-oxazepan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C108H91Br5N38O — CID 157175838

IUPAC6-bromo-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,4-oxazepan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ncc2c(n1)CN(c1nc3c(-c4cnc5ccccc5c4)cnn3c(N)c1Br)C2.Cc1nnc(C)n1C1CCN(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.Nc1c(Br)c(N2CCCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(N2Cc3ccncc3C2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(N2Cc3cn[nH]c3C2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C24H24BrN9.C22H17BrN8.C22H16BrN7.C20H15BrN8.C20H19BrN6O/c1-14-30-31-15(2)33(14)18-7-9-32(10-8-18)24-21(25)22(26)34-23(29-24)19(13-28-34)17-11-16-5-3-4-6-20(16)27-12-17;1-12-25-8-15-10-30(11-18(15)28-12)22-19(23)20(24)31-21(29-22)16(9-27-31)14-6-13-4-2-3-5-17(13)26-7-14;23-19-20(24)30-21(28-22(19)29-11-14-5-6-25-8-16(14)12-29)17(10-27-30)15-7-13-3-1-2-4-18(13)26-9-15;21-17-18(22)29-19(26-20(17)28-9-13-7-24-27-16(13)10-28)14(8-25-29)12-5-11-3-1-2-4-15(11)23-6-12;21-17-18(22)27-19(25-20(17)26-6-3-8-28-9-7-26)15(12-24-27)14-10-13-4-1-2-5-16(13)23-11-14/h3-6,11-13,18H,7-10,26H2,1-2H3;2-9H,10-11,24H2,1H3;1-10H,11-12,24H2;1-8H,9-10,22H2,(H,24,27);1-2,4-5,10-12H,3,6-9,22H2
InChIKeyANZKTDGFSJCFGP-UHFFFAOYSA-N
MW2336.70 g/mol
LogP19.50
Rot. Bonds11

About 6-bromo-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,4-oxazepan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

6-bromo-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,4-oxazepan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 157175838) has the molecular formula C108H91Br5N38O and a molecular weight of 2336.70 g/mol. Its IUPAC name is 6-bromo-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,4-oxazepan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-bromo-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,4-oxazepan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID157175838
Molecular FormulaC108H91Br5N38O
Molecular Weight2336.70 g/mol
Exact Mass2330.42
IUPAC Name6-bromo-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,4-oxazepan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ncc2c(n1)CN(c1nc3c(-c4cnc5ccccc5c4)cnn3c(N)c1Br)C2.Cc1nnc(C)n1C1CCN(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.Nc1c(Br)c(N2CCCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(N2Cc3ccncc3C2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(N2Cc3cn[nH]c3C2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C24H24BrN9.C22H17BrN8.C22H16BrN7.C20H15BrN8.C20H19BrN6O/c1-14-30-31-15(2)33(14)18-7-9-32(10-8-18)24-21(25)22(26)34-23(29-24)19(13-28-34)17-11-16-5-3-4-6-20(16)27-12-17;1-12-25-8-15-10-30(11-18(15)28-12)22-19(23)20(24)31-21(29-22)16(9-27-31)14-6-13-4-2-3-5-17(13)26-7-14;23-19-20(24)30-21(28-22(19)29-11-14-5-6-25-8-16(14)12-29)17(10-27-30)15-7-13-3-1-2-4-18(13)26-9-15;21-17-18(22)29-19(26-20(17)28-9-13-7-24-27-16(13)10-28)14(8-25-29)12-5-11-3-1-2-4-15(11)23-6-12;21-17-18(22)27-19(25-20(17)26-6-3-8-28-9-7-26)15(12-24-27)14-10-13-4-1-2-5-16(13)23-11-14/h3-6,11-13,18H,7-10,26H2,1-2H3;2-9H,10-11,24H2,1H3;1-10H,11-12,24H2;1-8H,9-10,22H2,(H,24,27);1-2,4-5,10-12H,3,6-9,22H2
InChIKeyANZKTDGFSJCFGP-UHFFFAOYSA-N
XLogP19.50
TPSA468.99 Ų
H-Bond Donors6
H-Bond Acceptors38
Rotatable Bonds11
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002336.70
LogP ≤ 519.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1038

Analyze 6-bromo-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,4-oxazepan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

N-[5-(3,3-difluoropyrrolidin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(5-morpholin-4-ylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(5-piperidin-1-ylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(5-pyrazol-1-ylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 161535715
2-[[3-(3,3-difluoropyrrolidin-1-yl)azetidin-1-yl]methyl]-8-propan-2-yl-7-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-[[methyl(3-piperidin-1-ylpropyl)amino]methyl]-8-propan-2-yl-7-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-[(2-morpholin-4-ylethylamino)methyl]-8-propan-2-yl-7-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-propan-2-yl-7-[(2-pyrazol-1-ylphenyl)methyl]-2-[(2-pyrrolidin-1-ylethylamino)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 173668939
N-[2-(1H-indol-3-yl)ethyl]-2-(5-methyl-3-pyridinyl)-9-propan-2-ylpurin-6-amine;3-methyl-4-[4-(2-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 168458938
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
6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;bis(imidazo[1,5-b]pyridazine);1H-indazole;1,6-naphthyridine;1,7-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;pyrazolo[1,5-c]pyrimidine;pyrimido[5,4-d]pyrimidine;1H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,4-c]pyridine;5,6,7,8-tetrahydroimidazo[1,5-a]pyridine;4,5,6,7-tetrahydro-1H-isoindole;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 157127848
4-(4-bromo-2-pyridinyl)morpholine;6-(3-methylimidazol-4-yl)-1H-indazole;4-[4-[6-(3-methylimidazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine
CID 157218191
1-N-ethyl-6-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinoline-1,6-diamine;8-N-ethyl-3-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinoline-3,8-diamine;1-morpholin-4-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)isoquinolin-6-amine
CID 157285312
6-bromo-5-[[[(2S)-2,6-dimethyloxan-4-yl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[1-(methoxymethyl)cyclopropyl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[4-(methoxymethyl)oxan-4-yl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[[(3S,4S)-3-methoxyoxan-4-yl]amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[[(3-methoxyoxan-4-yl)amino]methyl]-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 157648235
Ethane;methane;1-propan-2-ylimidazole;bis(1-propan-2-ylindazole);2-propan-2-ylindazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;1-propan-2-ylpyrazolo[5,4-b]pyridine;2-propan-2-ylpyrazolo[3,4-b]pyridine;2-propan-2-ylpyrazolo[4,3-b]pyridine;1-propan-2-ylpyrazolo[4,5-c]pyridine;2-propan-2-ylpyrazolo[3,4-c]pyridine;2-propan-2-ylpyrazolo[4,3-c]pyridine;1-propan-2-yltetrazole;2-propan-2-yltetrazole;1-propan-2-yltriazole;2-propan-2-yltriazole
CID 157660933
8-Cyclohexyl-4-propan-2-yl-4,5,8,10,14,15-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(15),2,5,9,11,13(16)-hexaene;8-cyclohexyl-5-propan-2-yl-5,8,10,14,15-pentazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(15),2(6),3,9,11,13(16)-hexaene;8-cyclopropyl-4-propan-2-yl-4,5,8,10,14,15-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(15),2,5,9,11,13(16)-hexaene;8-(oxan-4-yl)-4-propan-2-yl-4,5,8,10,14,15-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(15),2,5,9,11,13(16)-hexaene;8-(oxan-4-yl)-5-propan-2-yl-5,8,10,14,15-pentazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(15),2(6),3,9,11,13(16)-hexaene
CID 157799716
6-Bromo-5-[(4-methoxypiperidin-1-yl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,4-oxazepan-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-quinolin-3-yl-5-(thiomorpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1,4-oxazepan-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157910512
N-[(2-amino-4-pyridinyl)methyl]-3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;N-[(2-amino-4-pyridinyl)methyl]-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(2-methoxyethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine
CID 157953159

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,4-oxazepan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-bromo-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,4-oxazepan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 157175838) is 6-bromo-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,4-oxazepan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-bromo-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,4-oxazepan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-bromo-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,4-oxazepan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1ncc2c(n1)CN(c1nc3c(-c4cnc5ccccc5c4)cnn3c(N)c1Br)C2.Cc1nnc(C)n1C1CCN(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1.Nc1c(Br)c(N2CCCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(N2Cc3ccncc3C2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1c(Br)c(N2Cc3cn[nH]c3C2)nc2c(-c3cnc4ccccc4c3)cnn12.
What is the InChIKey of 6-bromo-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,4-oxazepan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ANZKTDGFSJCFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN9.C22H17BrN8.C22H16BrN7.C20H15BrN8.C20H19BrN6O/c1-14-30-31-15(2)33(14)18-7-9-32(10-8-18)24-21(25)22(26)34-23(29-24)19(13-28-34)17-11-16-5-3-4-6-20(16)27-12-17;1-12-25-8-15-10-30(11-18(15)28-12)22-19(23)20(24)31-21(29-22)16(9-27-31)14-6-13-4-2-3-5-17(13)26-7-14;23-19-20(24)30-21(28-22(19)29-11-14-5-6-25-8-16(14)12-29)17(10-27-30)15-7-13-3-1-2-4-18(13)26-9-15;21-17-18(22)29-19(26-20(17)28-9-13-7-24-27-16(13)10-28)14(8-25-29)12-5-11-3-1-2-4-15(11)23-6-12;21-17-18(22)27-19(25-20(17)26-6-3-8-28-9-7-26)15(12-24-27)14-10-13-4-1-2-5-16(13)23-11-14/h3-6,11-13,18H,7-10,26H2,1-2H3;2-9H,10-11,24H2,1H3;1-10H,11-12,24H2;1-8H,9-10,22H2,(H,24,27);1-2,4-5,10-12H,3,6-9,22H2.
What are the key properties of 6-bromo-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,4-oxazepan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
6-bromo-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,4-oxazepan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2336.70 g/mol, XLogP of 19.50, 11 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)piperidin-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(1,4-oxazepan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 157175838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).