6-[7-amino-6-chloro-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;6-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;5-[(4-methoxypiperidin-1-yl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-quinolin-3-yl-5-(thiomorpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C97H91ClN36O7S — CID 157452518

IUPAC6-[7-amino-6-chloro-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;6-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;5-[(4-methoxypiperidin-1-yl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-quinolin-3-yl-5-(thiomorpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOC1CCN(Cc2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)CC1.Cn1ccc(-c2cnn3c(N)c(Cl)c(N4Cc5[nH]c(=O)[nH]c(=O)c5C4)nc23)c1.Cn1ccc(-c2cnn3c(N)cc(N4Cc5[nH]c(=O)[nH]c(=O)c5C4)nc23)c1.Nc1cc(CN2CCSCC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(N2Cc3[nH]c(=O)[nH]c(=O)c3C2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C22H24N6O.C21H16N8O2.C20H20N6S.C17H15ClN8O2.C17H16N8O2/c1-29-18-6-8-27(9-7-18)14-17-11-21(23)28-22(26-17)19(13-25-28)16-10-15-4-2-3-5-20(15)24-12-16;22-17-6-18(28-9-14-16(10-28)25-21(31)27-20(14)30)26-19-13(8-24-29(17)19)12-5-11-3-1-2-4-15(11)23-7-12;21-19-10-16(13-25-5-7-27-8-6-25)24-20-17(12-23-26(19)20)15-9-14-3-1-2-4-18(14)22-11-15;1-24-3-2-8(5-24)9-4-20-26-13(19)12(18)15(22-14(9)26)25-6-10-11(7-25)21-17(28)23-16(10)27;1-23-3-2-9(6-23)10-5-19-25-13(18)4-14(21-15(10)25)24-7-11-12(8-24)20-17(27)22-16(11)26/h2-5,10-13,18H,6-9,14,23H2,1H3;1-8H,9-10,22H2,(H2,25,27,30,31);1-4,9-12H,5-8,13,21H2;2-5H,6-7,19H2,1H3,(H2,21,23,27,28);2-6H,7-8,18H2,1H3,(H2,20,22,26,27)
InChIKeyBSYSTOHJGIUVGP-UHFFFAOYSA-N
MW1940.56 g/mol
LogP8.72
Rot. Bonds13

About 6-[7-amino-6-chloro-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;6-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;5-[(4-methoxypiperidin-1-yl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-quinolin-3-yl-5-(thiomorpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

6-[7-amino-6-chloro-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;6-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;5-[(4-methoxypiperidin-1-yl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-quinolin-3-yl-5-(thiomorpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 157452518) has the molecular formula C97H91ClN36O7S and a molecular weight of 1940.56 g/mol. Its IUPAC name is 6-[7-amino-6-chloro-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;6-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;5-[(4-methoxypiperidin-1-yl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-quinolin-3-yl-5-(thiomorpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-[7-amino-6-chloro-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;6-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;5-[(4-methoxypiperidin-1-yl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-quinolin-3-yl-5-(thiomorpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID157452518
Molecular FormulaC97H91ClN36O7S
Molecular Weight1940.56 g/mol
Exact Mass1938.73
IUPAC Name6-[7-amino-6-chloro-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;6-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;5-[(4-methoxypiperidin-1-yl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-quinolin-3-yl-5-(thiomorpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOC1CCN(Cc2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)CC1.Cn1ccc(-c2cnn3c(N)c(Cl)c(N4Cc5[nH]c(=O)[nH]c(=O)c5C4)nc23)c1.Cn1ccc(-c2cnn3c(N)cc(N4Cc5[nH]c(=O)[nH]c(=O)c5C4)nc23)c1.Nc1cc(CN2CCSCC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(N2Cc3[nH]c(=O)[nH]c(=O)c3C2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C22H24N6O.C21H16N8O2.C20H20N6S.C17H15ClN8O2.C17H16N8O2/c1-29-18-6-8-27(9-7-18)14-17-11-21(23)28-22(26-17)19(13-25-28)16-10-15-4-2-3-5-20(15)24-12-16;22-17-6-18(28-9-14-16(10-28)25-21(31)27-20(14)30)26-19-13(8-24-29(17)19)12-5-11-3-1-2-4-15(11)23-7-12;21-19-10-16(13-25-5-7-27-8-6-25)24-20-17(12-23-26(19)20)15-9-14-3-1-2-4-18(14)22-11-15;1-24-3-2-8(5-24)9-4-20-26-13(19)12(18)15(22-14(9)26)25-6-10-11(7-25)21-17(28)23-16(10)27;1-23-3-2-9(6-23)10-5-19-25-13(18)4-14(21-15(10)25)24-7-11-12(8-24)20-17(27)22-16(11)26/h2-5,10-13,18H,6-9,14,23H2,1H3;1-8H,9-10,22H2,(H2,25,27,30,31);1-4,9-12H,5-8,13,21H2;2-5H,6-7,19H2,1H3,(H2,21,23,27,28);2-6H,7-8,18H2,1H3,(H2,20,22,26,27)
InChIKeyBSYSTOHJGIUVGP-UHFFFAOYSA-N
XLogP8.72
TPSA552.17 Ų
H-Bond Donors11
H-Bond Acceptors38
Rotatable Bonds13
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001940.56
LogP ≤ 58.72
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1038

Analyze 6-[7-amino-6-chloro-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;6-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;5-[(4-methoxypiperidin-1-yl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-quinolin-3-yl-5-(thiomorpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

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-[(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
2-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,4,9,9a-tetrahydro-1H-pyrazino[1,2-c]pyrimidine-6,8-dione;7-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-2-methyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;7-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;2-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3,4,9,9a-tetrahydro-1H-pyrazino[1,2-c]pyrimidine-6,8-dione;6-bromo-5-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 158036165
5-[(3aR,7aS)-1,3-dimethyl-2-oxo-4,6,7,7a-tetrahydro-3aH-imidazo[4,5-c]pyridin-5-yl]-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-amino-5-(5-oxo-1,4-diazepan-1-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 158480453
7-(7-Amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;8-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;7-(7-amino-6-chloro-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione;7-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 158550052
6-[7-amino-6-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;6-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;5-[(4-methoxypiperidin-1-yl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-quinolin-3-yl-5-(thiomorpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 158993818
7-Amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile;1-[7-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one;7-amino-3-(6-methylquinolin-3-yl)-5-[(oxan-4-ylamino)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(7-amino-6-propanoyl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 159014053
1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;3-ethyl-6-propan-2-ylpyrazolo[1,5-a]pyrimidine;3-ethyl-6-(4-propan-2-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine;3-fluoro-1-methyl-6-(4-propan-2-yl-2-pyridinyl)indazole;5-methyl-1-(3-propan-2-ylphenyl)pyrimidine-2,4-dione;3-methyl-7-(4-propan-2-yl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;1-(3-propan-2-ylphenyl)pyrimidine-2,4-dione;1-propan-2-yl-4-(4-propan-2-yl-2-pyridinyl)piperazine;7-(4-propan-2-yl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;5-(4-propan-2-yl-2-pyridinyl)-1H-pyridin-2-one
CID 159535307
(3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine;3-chloro-4-piperazin-1-yl-1,2,5-thiadiazole;(2S,5R)-2,5-dimethyl-1-(1-phenyltetrazol-5-yl)piperazine;(3S,5R)-3,5-dimethyl-1-(1-phenyltetrazol-5-yl)piperazine;1-(5-methyl-2-phenylpyrazol-3-yl)piperazine;(2R)-2-methyl-1-(1-phenyltetrazol-5-yl)piperazine;(3R)-3-methyl-1-(1-phenyltetrazol-5-yl)piperazine;(3S)-3-methyl-1-(1-phenyltetrazol-5-yl)piperazine;1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperazine;1-(1-phenylimidazol-2-yl)piperazine;1-(2-phenylphenyl)piperazine;1-phenyl-2-piperazin-1-ylbenzimidazole;3-phenyl-4-piperazin-1-yl-1H-pyridazin-6-one;4-phenyl-3-piperazin-1-yl-1H-1,2,4-triazol-5-one;1-(1-phenyltetrazol-5-yl)piperazine;1-(4-phenyl-1,2,4-triazol-3-yl)piperazine
CID 159883251
5-[(3aR,7aS)-1,3-dimethyl-2-oxo-4,6,7,7a-tetrahydro-3aH-imidazo[4,5-c]pyridin-5-yl]-7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;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-5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-amino-5-(5-oxo-1,4-diazepan-1-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
CID 160015503
1-[4-[2-amino-4-methyl-10-(6-methylquinolin-3-yl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-6-yl]piperidin-1-yl]-2-hydroxyethanone;(2R)-1-[2-amino-10-(6-phenyl-3-pyridinyl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-5-yl]-2-hydroxypropan-1-one;5,5-dioxo-10-(6-phenyl-3-pyridinyl)-5lambda6-thia-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine;6-N-(oxan-4-yl)-10-(6-phenyl-3-pyridinyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-2,6-diamine
CID 160478106
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;1-[7-amino-5-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;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-isocyano-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 161723806

Frequently Asked Questions

What is the IUPAC name of 6-[7-amino-6-chloro-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;6-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;5-[(4-methoxypiperidin-1-yl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-quinolin-3-yl-5-(thiomorpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-[7-amino-6-chloro-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;6-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;5-[(4-methoxypiperidin-1-yl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-quinolin-3-yl-5-(thiomorpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 157452518) is 6-[7-amino-6-chloro-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;6-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;5-[(4-methoxypiperidin-1-yl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-quinolin-3-yl-5-(thiomorpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-[7-amino-6-chloro-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;6-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;5-[(4-methoxypiperidin-1-yl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-quinolin-3-yl-5-(thiomorpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-[7-amino-6-chloro-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;6-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;5-[(4-methoxypiperidin-1-yl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-quinolin-3-yl-5-(thiomorpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is COC1CCN(Cc2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)CC1.Cn1ccc(-c2cnn3c(N)c(Cl)c(N4Cc5[nH]c(=O)[nH]c(=O)c5C4)nc23)c1.Cn1ccc(-c2cnn3c(N)cc(N4Cc5[nH]c(=O)[nH]c(=O)c5C4)nc23)c1.Nc1cc(CN2CCSCC2)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(N2Cc3[nH]c(=O)[nH]c(=O)c3C2)nc2c(-c3cnc4ccccc4c3)cnn12.
What is the InChIKey of 6-[7-amino-6-chloro-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;6-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;5-[(4-methoxypiperidin-1-yl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-quinolin-3-yl-5-(thiomorpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BSYSTOHJGIUVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O.C21H16N8O2.C20H20N6S.C17H15ClN8O2.C17H16N8O2/c1-29-18-6-8-27(9-7-18)14-17-11-21(23)28-22(26-17)19(13-25-28)16-10-15-4-2-3-5-20(15)24-12-16;22-17-6-18(28-9-14-16(10-28)25-21(31)27-20(14)30)26-19-13(8-24-29(17)19)12-5-11-3-1-2-4-15(11)23-7-12;21-19-10-16(13-25-5-7-27-8-6-25)24-20-17(12-23-26(19)20)15-9-14-3-1-2-4-18(14)22-11-15;1-24-3-2-8(5-24)9-4-20-26-13(19)12(18)15(22-14(9)26)25-6-10-11(7-25)21-17(28)23-16(10)27;1-23-3-2-9(6-23)10-5-19-25-13(18)4-14(21-15(10)25)24-7-11-12(8-24)20-17(27)22-16(11)26/h2-5,10-13,18H,6-9,14,23H2,1H3;1-8H,9-10,22H2,(H2,25,27,30,31);1-4,9-12H,5-8,13,21H2;2-5H,6-7,19H2,1H3,(H2,21,23,27,28);2-6H,7-8,18H2,1H3,(H2,20,22,26,27).
What are the key properties of 6-[7-amino-6-chloro-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;6-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;5-[(4-methoxypiperidin-1-yl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-quinolin-3-yl-5-(thiomorpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
6-[7-amino-6-chloro-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;6-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;5-[(4-methoxypiperidin-1-yl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-quinolin-3-yl-5-(thiomorpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1940.56 g/mol, XLogP of 8.72, 13 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-amino-6-chloro-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;6-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4-dione;5-[(4-methoxypiperidin-1-yl)methyl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-quinolin-3-yl-5-(thiomorpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 157452518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).