3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide;[3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-morpholin-4-ylmethanone;3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C77H75N29O4S — CID 159631908

IUPAC3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide;[3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-morpholin-4-ylmethanone;3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOc1ccc2cc(-c3nn(C)c4ncnc(N)c34)ccc2c1.Cc1ncc(-c2nn(C)c3ncnc(N)c23)c(C)n1.Cn1nc(-c2cccc(C(=O)N3CCOCC3)c2)c2c(N)ncnc21.Cn1nc(-c2cccc(C(=O)NC3CC3)c2)c2c(N)ncnc21.Cn1nc(-c2csc3ccccc23)c2c(N)ncnc21
InChIInChI=1S/C18H17N5O.C17H18N6O2.C16H16N6O.C14H11N5S.C12H13N7/c1-3-24-14-7-6-11-8-13(5-4-12(11)9-14)16-15-17(19)20-10-21-18(15)23(2)22-16;1-22-16-13(15(18)19-10-20-16)14(21-22)11-3-2-4-12(9-11)17(24)23-5-7-25-8-6-23;1-22-15-12(14(17)18-8-19-15)13(21-22)9-3-2-4-10(7-9)16(23)20-11-5-6-11;1-19-14-11(13(15)16-7-17-14)12(18-19)9-6-20-10-5-3-2-4-8(9)10;1-6-8(4-14-7(2)17-6)10-9-11(13)15-5-16-12(9)19(3)18-10/h4-10H,3H2,1-2H3,(H2,19,20,21);2-4,9-10H,5-8H2,1H3,(H2,18,19,20);2-4,7-8,11H,5-6H2,1H3,(H,20,23)(H2,17,18,19);2-7H,1H3,(H2,15,16,17);4-5H,1-3H3,(H2,13,15,16)
InChIKeyMPFRSYRRKJDXGN-UHFFFAOYSA-N
MW1502.71 g/mol
LogP9.60
Rot. Bonds10

About 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide;[3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-morpholin-4-ylmethanone;3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide;[3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-morpholin-4-ylmethanone;3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 159631908) has the molecular formula C77H75N29O4S and a molecular weight of 1502.71 g/mol. Its IUPAC name is 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide;[3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-morpholin-4-ylmethanone;3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide;[3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-morpholin-4-ylmethanone;3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID159631908
Molecular FormulaC77H75N29O4S
Molecular Weight1502.71 g/mol
Exact Mass1501.63
IUPAC Name3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide;[3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-morpholin-4-ylmethanone;3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCOc1ccc2cc(-c3nn(C)c4ncnc(N)c34)ccc2c1.Cc1ncc(-c2nn(C)c3ncnc(N)c23)c(C)n1.Cn1nc(-c2cccc(C(=O)N3CCOCC3)c2)c2c(N)ncnc21.Cn1nc(-c2cccc(C(=O)NC3CC3)c2)c2c(N)ncnc21.Cn1nc(-c2csc3ccccc23)c2c(N)ncnc21
InChIInChI=1S/C18H17N5O.C17H18N6O2.C16H16N6O.C14H11N5S.C12H13N7/c1-3-24-14-7-6-11-8-13(5-4-12(11)9-14)16-15-17(19)20-10-21-18(15)23(2)22-16;1-22-16-13(15(18)19-10-20-16)14(21-22)11-3-2-4-12(9-11)17(24)23-5-7-25-8-6-23;1-22-15-12(14(17)18-8-19-15)13(21-22)9-3-2-4-10(7-9)16(23)20-11-5-6-11;1-19-14-11(13(15)16-7-17-14)12(18-19)9-6-20-10-5-3-2-4-8(9)10;1-6-8(4-14-7(2)17-6)10-9-11(13)15-5-16-12(9)19(3)18-10/h4-10H,3H2,1-2H3,(H2,19,20,21);2-4,9-10H,5-8H2,1H3,(H2,18,19,20);2-4,7-8,11H,5-6H2,1H3,(H,20,23)(H2,17,18,19);2-7H,1H3,(H2,15,16,17);4-5H,1-3H3,(H2,13,15,16)
InChIKeyMPFRSYRRKJDXGN-UHFFFAOYSA-N
XLogP9.60
TPSA441.75 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds10
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001502.71
LogP ≤ 59.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Analyze 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide;[3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-morpholin-4-ylmethanone;3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(2,3-dimethyl-1-benzofuran-5-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(5-ethylthiophen-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-methoxyphenyl)methyl]-7-N-[(1S)-5-(1H-1,2,4-triazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 91549157
bis(7-N-benzyl-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);7-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(3,4-dimethylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane;7-N-[(4-methylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(2-methyl-4-pyridinyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-methylthiophen-2-yl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 157510546
3-ethyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;3-methyl-5-(2-methylpropyl)-1,2-benzothiazole;2-methyl-7-(2-methylpropyl)-3,4-dihydroisoquinolin-1-one;1-methyl-7-(2-methylpropyl)-3,4-dihydroquinolin-2-one;5-(2-methylpropyl)-1-benzothiophene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;7-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;5-(2-methylpropyl)-1H-indole;5-(2-methylpropyl)-3-propan-2-yl-1,3-benzoxazol-2-one;6-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,3,3-tetrafluoro-6-(2-methylpropyl)-1,4-benzodioxine
CID 158067006
3-ethyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;methane;3-methyl-5-(2-methylpropyl)-1,2-benzothiazole;2-methyl-7-(2-methylpropyl)-3,4-dihydroisoquinolin-1-one;1-methyl-7-(2-methylpropyl)-3,4-dihydroquinolin-2-one;5-(2-methylpropyl)-1-benzothiophene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;7-(2-methylpropyl)-3,4-dihydro-1H-quinazolin-2-one;7-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;5-(2-methylpropyl)-1H-indole;5-(2-methylpropyl)-3-propan-2-yl-1,3-benzoxazol-2-one;6-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,3,3-tetrafluoro-6-(2-methylpropyl)-1,4-benzodioxine
CID 161196778
3-ethyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;3-methyl-5-(2-methylpropyl)-1,2-benzothiazole;2-methyl-7-(2-methylpropyl)-3,4-dihydroisoquinolin-1-one;1-methyl-7-(2-methylpropyl)-3,4-dihydroquinolin-2-one;5-(2-methylpropyl)-1-benzothiophene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;6-(2-methylpropyl)-2,4-dihydro-1H-isoquinolin-3-one;7-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-one;5-(2-methylpropyl)-1H-indole;5-(2-methylpropyl)-3-propan-2-yl-1,3-benzoxazol-2-one;6-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyridine;2,2,3,3-tetrafluoro-6-(2-methylpropyl)-1,4-benzodioxine
CID 161530114
CID 162123365
CID 162123365
N,N-dimethyl-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;5-(4-ethylpiperazin-1-yl)-N-(2-ethyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-ethylpiperazin-1-yl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-ethyl-4-pyridinyl)-5-(4-methoxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(4-methoxy-2-methylphenyl)-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide
CID 157097610
N-[3-[2-acetyl-5-(difluoromethoxy)-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[5-(difluoromethoxy)-2-ethynyl-1-benzothiophen-6-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[3-(difluoromethoxy)naphthalen-2-yl]-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(5-methoxy-1-benzothiophen-6-yl)-1-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157242641
3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide;3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 157485623
3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one;1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one;1-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)pyridin-2-one;3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]-7aH-imidazo[4,5-b]pyridin-3-ium;5-phenyl-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-1,3-thiazol-2-amine;6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidine
CID 157685397
6-Cyclopropyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-(furan-3-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-6-phenyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157775528
3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide;3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-ethoxy-4a,8a-dihydronaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 157937772

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide;[3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-morpholin-4-ylmethanone;3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide;[3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-morpholin-4-ylmethanone;3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 159631908) is 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide;[3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-morpholin-4-ylmethanone;3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide;[3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-morpholin-4-ylmethanone;3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide;[3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-morpholin-4-ylmethanone;3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is CCOc1ccc2cc(-c3nn(C)c4ncnc(N)c34)ccc2c1.Cc1ncc(-c2nn(C)c3ncnc(N)c23)c(C)n1.Cn1nc(-c2cccc(C(=O)N3CCOCC3)c2)c2c(N)ncnc21.Cn1nc(-c2cccc(C(=O)NC3CC3)c2)c2c(N)ncnc21.Cn1nc(-c2csc3ccccc23)c2c(N)ncnc21.
What is the InChIKey of 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide;[3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-morpholin-4-ylmethanone;3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is MPFRSYRRKJDXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O.C17H18N6O2.C16H16N6O.C14H11N5S.C12H13N7/c1-3-24-14-7-6-11-8-13(5-4-12(11)9-14)16-15-17(19)20-10-21-18(15)23(2)22-16;1-22-16-13(15(18)19-10-20-16)14(21-22)11-3-2-4-12(9-11)17(24)23-5-7-25-8-6-23;1-22-15-12(14(17)18-8-19-15)13(21-22)9-3-2-4-10(7-9)16(23)20-11-5-6-11;1-19-14-11(13(15)16-7-17-14)12(18-19)9-6-20-10-5-3-2-4-8(9)10;1-6-8(4-14-7(2)17-6)10-9-11(13)15-5-16-12(9)19(3)18-10/h4-10H,3H2,1-2H3,(H2,19,20,21);2-4,9-10H,5-8H2,1H3,(H2,18,19,20);2-4,7-8,11H,5-6H2,1H3,(H,20,23)(H2,17,18,19);2-7H,1H3,(H2,15,16,17);4-5H,1-3H3,(H2,13,15,16).
What are the key properties of 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide;[3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-morpholin-4-ylmethanone;3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide;[3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-morpholin-4-ylmethanone;3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1502.71 g/mol, XLogP of 9.60, 10 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide;[3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-morpholin-4-ylmethanone;3-(1-benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-ethoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 159631908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).