5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;5-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine;tert-butyl N-[[5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-yl]methyl]carbamate;3-(1,3-dimethylindazol-6-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-dimethyl-1,3-thiazol-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine

C97H101N45O6S3 — CID 159293442

About 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;5-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine;tert-butyl N-[[5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-yl]methyl]carbamate;3-(1,3-dimethylindazol-6-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-dimethyl-1,3-thiazol-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine

5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;5-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine;tert-butyl N-[[5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-yl]methyl]carbamate;3-(1,3-dimethylindazol-6-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-dimethyl-1,3-thiazol-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 159293442) has the molecular formula C97H101N45O6S3 and a molecular weight of 2089.38 g/mol. Its IUPAC name is 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;5-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine;tert-butyl N-[[5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-yl]methyl]carbamate;3-(1,3-dimethylindazol-6-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-dimethyl-1,3-thiazol-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;5-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine;tert-butyl N-[[5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-yl]methyl]carbamate;3-(1,3-dimethylindazol-6-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-dimethyl-1,3-thiazol-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 159293442
• Molecular Formula: C97H101N45O6S3
• Molecular Weight: 2089.38 g/mol
• Exact Mass: 2087.81
• IUPAC Name: 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;5-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine;tert-butyl N-[[5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-yl]methyl]carbamate;3-(1,3-dimethylindazol-6-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-dimethyl-1,3-thiazol-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: Cc1c2ccc(-c3nn(C)c4ncnc(N)c34)cc2nn1C.Cc1nc(C)c(-c2nn(C)c3ncnc(N)c23)s1.Cc1nn(C)c2cc(-c3nn(C)c4ncnc(N)c34)ccc12.Cn1nc(-c2ccc(-c3nnc(N)s3)cc2)c2c(N)ncnc21.Cn1nc(-c2ccc(C=O)o2)c2c(N)ncnc21.Cn1nc(-c2ccc(CN3CCOCC3)s2)c2c(N)ncnc21.Cn1nc(-c2ccc(CNC(=O)OC(C)(C)C)o2)c2c(N)ncnc21
• InChI: InChI=1S/C16H20N6O3.2C15H15N7.C15H18N6OS.C14H12N8S.C11H12N6S.C11H9N5O2/c1-16(2,3)25-15(23)18-7-9-5-6-10(24-9)12-11-13(17)19-8-20-14(11)22(4)21-12;1-8-10-5-4-9(6-11(10)19-21(8)2)13-12-14(16)17-7-18-15(12)22(3)20-13;1-8-10-5-4-9(6-11(10)21(2)19-8)13-12-14(16)17-7-18-15(12)22(3)20-13;1-20-15-12(14(16)17-9-18-15)13(19-20)11-3-2-10(23-11)8-21-4-6-22-7-5-21;1-22-12-9(11(15)17-6-18-12)10(21-22)7-2-4-8(5-3-7)13-19-20-14(16)23-13;1-5-9(18-6(2)15-5)8-7-10(12)13-4-14-11(7)17(3)16-8;1-16-11-8(10(12)13-5-14-11)9(15-16)7-3-2-6(4-17)18-7/h5-6,8H,7H2,1-4H3,(H,18,23)(H2,17,19,20);2*4-7H,1-3H3,(H2,16,17,18);2-3,9H,4-8H2,1H3,(H2,16,17,18);2-6H,1H3,(H2,16,20)(H2,15,17,18);4H,1-3H3,(H2,12,13,14);2-5H,1H3,(H2,12,13,14)
• InChIKey: LAKJXXNKEJKMCU-UHFFFAOYSA-N
• XLogP: 11.77
• TPSA: 681.82 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 53
• Rotatable Bonds: 13
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2089.38
LogP ≤ 5	11.77
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	53

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;5-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine;tert-butyl N-[[5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-yl]methyl]carbamate;3-(1,3-dimethylindazol-6-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-dimethyl-1,3-thiazol-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;5-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine;tert-butyl N-[[5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-yl]methyl]carbamate;3-(1,3-dimethylindazol-6-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-dimethyl-1,3-thiazol-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 159293442) is 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;5-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine;tert-butyl N-[[5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-yl]methyl]carbamate;3-(1,3-dimethylindazol-6-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-dimethyl-1,3-thiazol-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;5-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine;tert-butyl N-[[5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-yl]methyl]carbamate;3-(1,3-dimethylindazol-6-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-dimethyl-1,3-thiazol-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;5-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine;tert-butyl N-[[5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-yl]methyl]carbamate;3-(1,3-dimethylindazol-6-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-dimethyl-1,3-thiazol-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine is Cc1c2ccc(-c3nn(C)c4ncnc(N)c34)cc2nn1C.Cc1nc(C)c(-c2nn(C)c3ncnc(N)c23)s1.Cc1nn(C)c2cc(-c3nn(C)c4ncnc(N)c34)ccc12.Cn1nc(-c2ccc(-c3nnc(N)s3)cc2)c2c(N)ncnc21.Cn1nc(-c2ccc(C=O)o2)c2c(N)ncnc21.Cn1nc(-c2ccc(CN3CCOCC3)s2)c2c(N)ncnc21.Cn1nc(-c2ccc(CNC(=O)OC(C)(C)C)o2)c2c(N)ncnc21.

What is the InChIKey of 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;5-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine;tert-butyl N-[[5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-yl]methyl]carbamate;3-(1,3-dimethylindazol-6-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-dimethyl-1,3-thiazol-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is LAKJXXNKEJKMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3.2C15H15N7.C15H18N6OS.C14H12N8S.C11H12N6S.C11H9N5O2/c1-16(2,3)25-15(23)18-7-9-5-6-10(24-9)12-11-13(17)19-8-20-14(11)22(4)21-12;1-8-10-5-4-9(6-11(10)19-21(8)2)13-12-14(16)17-7-18-15(12)22(3)20-13;1-8-10-5-4-9(6-11(10)21(2)19-8)13-12-14(16)17-7-18-15(12)22(3)20-13;1-20-15-12(14(16)17-9-18-15)13(19-20)11-3-2-10(23-11)8-21-4-6-22-7-5-21;1-22-12-9(11(15)17-6-18-12)10(21-22)7-2-4-8(5-3-7)13-19-20-14(16)23-13;1-5-9(18-6(2)15-5)8-7-10(12)13-4-14-11(7)17(3)16-8;1-16-11-8(10(12)13-5-14-11)9(15-16)7-3-2-6(4-17)18-7/h5-6,8H,7H2,1-4H3,(H,18,23)(H2,17,19,20);2*4-7H,1-3H3,(H2,16,17,18);2-3,9H,4-8H2,1H3,(H2,16,17,18);2-6H,1H3,(H2,16,20)(H2,15,17,18);4H,1-3H3,(H2,12,13,14);2-5H,1H3,(H2,12,13,14).

What are the key properties of 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;5-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine;tert-butyl N-[[5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-yl]methyl]carbamate;3-(1,3-dimethylindazol-6-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-dimethyl-1,3-thiazol-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine?

5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;5-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine;tert-butyl N-[[5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-yl]methyl]carbamate;3-(1,3-dimethylindazol-6-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-dimethyl-1,3-thiazol-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 2089.38 g/mol, XLogP of 11.77, 13 rotatable bonds, 9 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-carbaldehyde;5-[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine;tert-butyl N-[[5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)furan-2-yl]methyl]carbamate;3-(1,3-dimethylindazol-6-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-dimethyl-1,3-thiazol-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 159293442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).