3-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-2-cyclobutyl-8-methylisoquinolin-1-one;3-[[4-amino-3-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one;3-[[ethyl(7H-purin-6-yl)amino]methyl]-8-methyl-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one;8-methyl-3-[[methyl(7H-purin-6-yl)amino]methyl]-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one

C105H119N31O5 — CID 159056131

IUPAC3-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-2-cyclobutyl-8-methylisoquinolin-1-one;3-[[4-amino-3-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one;3-[[ethyl(7H-purin-6-yl)amino]methyl]-8-methyl-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one;8-methyl-3-[[methyl(7H-purin-6-yl)amino]methyl]-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one
SMILESCCN(Cc1cc2cccc(C)c2c(=O)n1C1CCN(C(C)C)CC1)c1ncnc2nc[nH]c12.Cc1cccc2cc(CN(C)c3ncnc4nc[nH]c34)n(C3CCN(C(C)C)CC3)c(=O)c12.Cc1cccc2cc(Cn3nc(-c4ccc5oc(N)nc5c4)c4c(N)ncnc43)n(C3CCC3)c(=O)c12.Cc1cccc2cc(Cn3nc(-c4cn[nH]c4)c4c(N)ncnc43)n(C3CCN(C(C)C)CC3)c(=O)c12
InChIInChI=1S/C27H31N9O.C27H24N8O2.C26H33N7O.C25H31N7O/c1-16(2)34-9-7-20(8-10-34)36-21(11-18-6-4-5-17(3)22(18)27(36)37)14-35-26-23(25(28)29-15-30-26)24(33-35)19-12-31-32-13-19;1-14-4-2-5-15-10-18(35(17-6-3-7-17)26(36)21(14)15)12-34-25-22(24(28)30-13-31-25)23(33-34)16-8-9-20-19(11-16)32-27(29)37-20;1-5-31(25-23-24(28-15-27-23)29-16-30-25)14-21-13-19-8-6-7-18(4)22(19)26(34)33(21)20-9-11-32(12-10-20)17(2)3;1-16(2)31-10-8-19(9-11-31)32-20(12-18-7-5-6-17(3)21(18)25(32)33)13-30(4)24-22-23(27-14-26-22)28-15-29-24/h4-6,11-13,15-16,20H,7-10,14H2,1-3H3,(H,31,32)(H2,28,29,30);2,4-5,8-11,13,17H,3,6-7,12H2,1H3,(H2,29,32)(H2,28,30,31);6-8,13,15-17,20H,5,9-12,14H2,1-4H3,(H,27,28,29,30);5-7,12,14-16,19H,8-11,13H2,1-4H3,(H,26,27,28,29)
InChIKeyJXWNBNLZYRRYDG-UHFFFAOYSA-N
MW1895.32 g/mol
LogP15.42
Rot. Bonds20

About 3-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-2-cyclobutyl-8-methylisoquinolin-1-one;3-[[4-amino-3-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one;3-[[ethyl(7H-purin-6-yl)amino]methyl]-8-methyl-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one;8-methyl-3-[[methyl(7H-purin-6-yl)amino]methyl]-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one

3-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-2-cyclobutyl-8-methylisoquinolin-1-one;3-[[4-amino-3-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one;3-[[ethyl(7H-purin-6-yl)amino]methyl]-8-methyl-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one;8-methyl-3-[[methyl(7H-purin-6-yl)amino]methyl]-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one (PubChem CID 159056131) has the molecular formula C105H119N31O5 and a molecular weight of 1895.32 g/mol. Its IUPAC name is 3-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-2-cyclobutyl-8-methylisoquinolin-1-one;3-[[4-amino-3-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one;3-[[ethyl(7H-purin-6-yl)amino]methyl]-8-methyl-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one;8-methyl-3-[[methyl(7H-purin-6-yl)amino]methyl]-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one.

Molecular Properties

Compound Name3-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-2-cyclobutyl-8-methylisoquinolin-1-one;3-[[4-amino-3-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one;3-[[ethyl(7H-purin-6-yl)amino]methyl]-8-methyl-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one;8-methyl-3-[[methyl(7H-purin-6-yl)amino]methyl]-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one
PubChem CID159056131
Molecular FormulaC105H119N31O5
Molecular Weight1895.32 g/mol
Exact Mass1894.00
IUPAC Name3-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-2-cyclobutyl-8-methylisoquinolin-1-one;3-[[4-amino-3-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one;3-[[ethyl(7H-purin-6-yl)amino]methyl]-8-methyl-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one;8-methyl-3-[[methyl(7H-purin-6-yl)amino]methyl]-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one
SMILESCCN(Cc1cc2cccc(C)c2c(=O)n1C1CCN(C(C)C)CC1)c1ncnc2nc[nH]c12.Cc1cccc2cc(CN(C)c3ncnc4nc[nH]c34)n(C3CCN(C(C)C)CC3)c(=O)c12.Cc1cccc2cc(Cn3nc(-c4ccc5oc(N)nc5c4)c4c(N)ncnc43)n(C3CCC3)c(=O)c12.Cc1cccc2cc(Cn3nc(-c4cn[nH]c4)c4c(N)ncnc43)n(C3CCN(C(C)C)CC3)c(=O)c12
InChIInChI=1S/C27H31N9O.C27H24N8O2.C26H33N7O.C25H31N7O/c1-16(2)34-9-7-20(8-10-34)36-21(11-18-6-4-5-17(3)22(18)27(36)37)14-35-26-23(25(28)29-15-30-26)24(33-35)19-12-31-32-13-19;1-14-4-2-5-15-10-18(35(17-6-3-7-17)26(36)21(14)15)12-34-25-22(24(28)30-13-31-25)23(33-34)16-8-9-20-19(11-16)32-27(29)37-20;1-5-31(25-23-24(28-15-27-23)29-16-30-25)14-21-13-19-8-6-7-18(4)22(19)26(34)33(21)20-9-11-32(12-10-20)17(2)3;1-16(2)31-10-8-19(9-11-31)32-20(12-18-7-5-6-17(3)21(18)25(32)33)13-30(4)24-22-23(27-14-26-22)28-15-29-24/h4-6,11-13,15-16,20H,7-10,14H2,1-3H3,(H,31,32)(H2,28,29,30);2,4-5,8-11,13,17H,3,6-7,12H2,1H3,(H2,29,32)(H2,28,30,31);6-8,13,15-17,20H,5,9-12,14H2,1-4H3,(H,27,28,29,30);5-7,12,14-16,19H,8-11,13H2,1-4H3,(H,26,27,28,29)
InChIKeyJXWNBNLZYRRYDG-UHFFFAOYSA-N
XLogP15.42
TPSA433.09 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds20
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001895.32
LogP ≤ 515.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

Analyze 3-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-2-cyclobutyl-8-methylisoquinolin-1-one;3-[[4-amino-3-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one;3-[[ethyl(7H-purin-6-yl)amino]methyl]-8-methyl-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one;8-methyl-3-[[methyl(7H-purin-6-yl)amino]methyl]-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one with MolForge

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Related Compounds

3-[[4-Amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-2-cyclopropyl-8-methylisoquinolin-1-one
CID 58008674
3-[[4-Amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-2-cyclobutyl-8-methylisoquinolin-1-one
CID 58008884
N-[5-[4-amino-1-[(8-methyl-1-oxo-2-phenylisoquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-yl]acetamide
CID 58008945
N-[5-[4-amino-1-[[8-methyl-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-yl]acetamide
CID 58009002
3-[[4-Amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-phenylisoquinolin-1-one
CID 58009006
3-[[4-Amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one
CID 58009091
3-[[4-Amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(3-methyl-2-pyridinyl)isoquinolin-1-one
CID 58009105
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone;(3,3-difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone;N-methyl-6-(2-methyl-1,3-benzoxazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 157093503
1,5-di(propan-2-yl)benzotriazole;2-fluoro-4-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;3-methoxy-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-2H-triazole;1-propan-2-yl-2-(trifluoromethyl)benzene
CID 158433120
5-[1-(4-aminobutyl)-4-(dimethylamino)pyrazolo[5,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-amine;tert-butyl N-[4-[3-(2-amino-1,3-benzoxazol-5-yl)-4-(dimethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]butyl]carbamate;tert-butyl N-(4-bromobutyl)carbamate;tert-butyl N-[4-[4-(dimethylamino)-3-iodopyrazolo[5,4-d]pyrimidin-1-yl]butyl]carbamate;3-iodo-N,N-dimethyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-iodo-N,N-dimethyl-1-tritylpyrazolo[5,4-d]pyrimidin-4-amine;3-iodo-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-iodo-1-tritylpyrazolo[3,4-d]pyrimidin-4-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazol-2-amine;2,2,2-trifluoroacetic acid
CID 159335801
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2,6-dimethylimidazo[1,2-b]pyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 159543739
1-[7-[5-(hydroxymethyl)-1H-pyrazol-3-yl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethane-1,2-dione;1-[4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethane-1,2-dione;1-[4-methoxy-7-(1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethane-1,2-dione;1-[4-methoxy-7-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(5-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethane-1,2-dione
CID 159592575

Frequently Asked Questions

What is the IUPAC name of 3-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-2-cyclobutyl-8-methylisoquinolin-1-one;3-[[4-amino-3-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one;3-[[ethyl(7H-purin-6-yl)amino]methyl]-8-methyl-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one;8-methyl-3-[[methyl(7H-purin-6-yl)amino]methyl]-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one?
The IUPAC name of 3-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-2-cyclobutyl-8-methylisoquinolin-1-one;3-[[4-amino-3-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one;3-[[ethyl(7H-purin-6-yl)amino]methyl]-8-methyl-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one;8-methyl-3-[[methyl(7H-purin-6-yl)amino]methyl]-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one (CID 159056131) is 3-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-2-cyclobutyl-8-methylisoquinolin-1-one;3-[[4-amino-3-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one;3-[[ethyl(7H-purin-6-yl)amino]methyl]-8-methyl-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one;8-methyl-3-[[methyl(7H-purin-6-yl)amino]methyl]-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one.
What is the SMILES notation for 3-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-2-cyclobutyl-8-methylisoquinolin-1-one;3-[[4-amino-3-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one;3-[[ethyl(7H-purin-6-yl)amino]methyl]-8-methyl-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one;8-methyl-3-[[methyl(7H-purin-6-yl)amino]methyl]-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one?
The canonical SMILES for 3-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-2-cyclobutyl-8-methylisoquinolin-1-one;3-[[4-amino-3-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one;3-[[ethyl(7H-purin-6-yl)amino]methyl]-8-methyl-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one;8-methyl-3-[[methyl(7H-purin-6-yl)amino]methyl]-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one is CCN(Cc1cc2cccc(C)c2c(=O)n1C1CCN(C(C)C)CC1)c1ncnc2nc[nH]c12.Cc1cccc2cc(CN(C)c3ncnc4nc[nH]c34)n(C3CCN(C(C)C)CC3)c(=O)c12.Cc1cccc2cc(Cn3nc(-c4ccc5oc(N)nc5c4)c4c(N)ncnc43)n(C3CCC3)c(=O)c12.Cc1cccc2cc(Cn3nc(-c4cn[nH]c4)c4c(N)ncnc43)n(C3CCN(C(C)C)CC3)c(=O)c12.
What is the InChIKey of 3-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-2-cyclobutyl-8-methylisoquinolin-1-one;3-[[4-amino-3-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one;3-[[ethyl(7H-purin-6-yl)amino]methyl]-8-methyl-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one;8-methyl-3-[[methyl(7H-purin-6-yl)amino]methyl]-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one?
The InChIKey is JXWNBNLZYRRYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N9O.C27H24N8O2.C26H33N7O.C25H31N7O/c1-16(2)34-9-7-20(8-10-34)36-21(11-18-6-4-5-17(3)22(18)27(36)37)14-35-26-23(25(28)29-15-30-26)24(33-35)19-12-31-32-13-19;1-14-4-2-5-15-10-18(35(17-6-3-7-17)26(36)21(14)15)12-34-25-22(24(28)30-13-31-25)23(33-34)16-8-9-20-19(11-16)32-27(29)37-20;1-5-31(25-23-24(28-15-27-23)29-16-30-25)14-21-13-19-8-6-7-18(4)22(19)26(34)33(21)20-9-11-32(12-10-20)17(2)3;1-16(2)31-10-8-19(9-11-31)32-20(12-18-7-5-6-17(3)21(18)25(32)33)13-30(4)24-22-23(27-14-26-22)28-15-29-24/h4-6,11-13,15-16,20H,7-10,14H2,1-3H3,(H,31,32)(H2,28,29,30);2,4-5,8-11,13,17H,3,6-7,12H2,1H3,(H2,29,32)(H2,28,30,31);6-8,13,15-17,20H,5,9-12,14H2,1-4H3,(H,27,28,29,30);5-7,12,14-16,19H,8-11,13H2,1-4H3,(H,26,27,28,29).
What are the key properties of 3-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-2-cyclobutyl-8-methylisoquinolin-1-one;3-[[4-amino-3-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one;3-[[ethyl(7H-purin-6-yl)amino]methyl]-8-methyl-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one;8-methyl-3-[[methyl(7H-purin-6-yl)amino]methyl]-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one?
3-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-2-cyclobutyl-8-methylisoquinolin-1-one;3-[[4-amino-3-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one;3-[[ethyl(7H-purin-6-yl)amino]methyl]-8-methyl-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one;8-methyl-3-[[methyl(7H-purin-6-yl)amino]methyl]-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one has a molecular weight of 1895.32 g/mol, XLogP of 15.42, 20 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-2-cyclobutyl-8-methylisoquinolin-1-one;3-[[4-amino-3-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one;3-[[ethyl(7H-purin-6-yl)amino]methyl]-8-methyl-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one;8-methyl-3-[[methyl(7H-purin-6-yl)amino]methyl]-2-(1-propan-2-ylpiperidin-4-yl)isoquinolin-1-one is sourced from PubChem (CID 159056131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).