3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;[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;methane;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C102H101N39O6S — CID 158889277

About 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;[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;methane;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;[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;methane;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 158889277) has the molecular formula C102H101N39O6S and a molecular weight of 2001.26 g/mol. Its IUPAC name is 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;[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;methane;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;[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;methane;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 158889277
• Molecular Formula: C102H101N39O6S
• Molecular Weight: 2001.26 g/mol
• Exact Mass: 1999.85
• IUPAC Name: 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;[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;methane;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: C.CCOc1ccc2cc(-c3nn(C)c4ncnc(N)c34)ccc2c1.Cc1cccc(-c2nn(C)c3ncnc(N)c23)c1.Cc1ncc(-c2nn(C)c3ncnc(N)c23)c(C)n1.Cn1nc(-c2ccc(C=O)o2)c2c(N)ncnc21.Cn1nc(-c2cccc(C(=O)N3CCOCC3)c2)c2c(N)ncnc21.Cn1nc(-c2cccc(C(=O)NC3CC3)c2)c2c(N)ncnc21.Cn1nc(-c2csc3ccccc23)c2c(N)ncnc21
• InChI: InChI=1S/C18H17N5O.C17H18N6O2.C16H16N6O.C14H11N5S.C13H13N5.C12H13N7.C11H9N5O2.CH4/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;1-8-4-3-5-9(6-8)11-10-12(14)15-7-16-13(10)18(2)17-11;1-6-8(4-14-7(2)17-6)10-9-11(13)15-5-16-12(9)19(3)18-10;1-16-11-8(10(12)13-5-14-11)9(15-16)7-3-2-6(4-17)18-7;/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);3-7H,1-2H3,(H2,14,15,16);4-5H,1-3H3,(H2,13,15,16);2-5H,1H3,(H2,12,13,14);1H4
• InChIKey: JEADKKYPJXMCAK-UHFFFAOYSA-N
• XLogP: 13.18
• TPSA: 611.20 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 44
• Rotatable Bonds: 13
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2001.26
LogP ≤ 5	13.18
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;[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;methane;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;[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;methane;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 158889277) is 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;[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;methane;1-methyl-3-(3-methylphenyl)pyrazolo[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;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;[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;methane;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;[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;methane;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is C.CCOc1ccc2cc(-c3nn(C)c4ncnc(N)c34)ccc2c1.Cc1cccc(-c2nn(C)c3ncnc(N)c23)c1.Cc1ncc(-c2nn(C)c3ncnc(N)c23)c(C)n1.Cn1nc(-c2ccc(C=O)o2)c2c(N)ncnc21.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;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;[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;methane;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is JEADKKYPJXMCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O.C17H18N6O2.C16H16N6O.C14H11N5S.C13H13N5.C12H13N7.C11H9N5O2.CH4/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;1-8-4-3-5-9(6-8)11-10-12(14)15-7-16-13(10)18(2)17-11;1-6-8(4-14-7(2)17-6)10-9-11(13)15-5-16-12(9)19(3)18-10;1-16-11-8(10(12)13-5-14-11)9(15-16)7-3-2-6(4-17)18-7;/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);3-7H,1-2H3,(H2,14,15,16);4-5H,1-3H3,(H2,13,15,16);2-5H,1H3,(H2,12,13,14);1H4.

What are the key properties of 3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;[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;methane;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?

3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclopropylbenzamide;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;[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;methane;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 2001.26 g/mol, XLogP of 13.18, 13 rotatable bonds, 8 hydrogen bond donors, and 44 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;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;[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;methane;1-methyl-3-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158889277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).