N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)urea;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide

C64H54FN25O5S3 — CID 157303911

About N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)urea;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide

N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)urea;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide (PubChem CID 157303911) has the molecular formula C64H54FN25O5S3 and a molecular weight of 1368.50 g/mol. Its IUPAC name is N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)urea;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide.

Molecular Properties

• Compound Name: N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)urea;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide
• PubChem CID: 157303911
• Molecular Formula: C64H54FN25O5S3
• Molecular Weight: 1368.50 g/mol
• Exact Mass: 1367.39
• IUPAC Name: N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)urea;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide
• SMILES: CCCC(=O)Nc1ccc(-n2ncc3c(N)ncnc32)cc1.Nc1ncnc2c1cnn2-c1ccc(NC(=O)Nc2ccccc2F)cc1.Nc1ncnc2c1cnn2-c1ccc(NC(=O)c2ccsc2)cc1.Nc1ncnc2c1cnn2-c1ccc(NS(=O)(=O)c2ccsc2)cc1
• InChI: InChI=1S/C18H14FN7O.C16H12N6OS.C15H12N6O2S2.C15H16N6O/c19-14-3-1-2-4-15(14)25-18(27)24-11-5-7-12(8-6-11)26-17-13(9-23-26)16(20)21-10-22-17;17-14-13-7-20-22(15(13)19-9-18-14)12-3-1-11(2-4-12)21-16(23)10-5-6-24-8-10;16-14-13-7-19-21(15(13)18-9-17-14)11-3-1-10(2-4-11)20-25(22,23)12-5-6-24-8-12;1-2-3-13(22)20-10-4-6-11(7-5-10)21-15-12(8-19-21)14(16)17-9-18-15/h1-10H,(H2,20,21,22)(H2,24,25,27);1-9H,(H,21,23)(H2,17,18,19);1-9,20H,(H2,16,17,18);4-9H,2-3H2,1H3,(H,20,22)(H2,16,17,18)
• InChIKey: BCFLAQPPAOBZLF-UHFFFAOYSA-N
• XLogP: 10.29
• TPSA: 423.98 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 27
• Rotatable Bonds: 14
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1368.50
LogP ≤ 5	10.29
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)urea;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide?

The IUPAC name of N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)urea;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide (CID 157303911) is N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)urea;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide.

What is the SMILES notation for N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)urea;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide?

The canonical SMILES for N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)urea;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide is CCCC(=O)Nc1ccc(-n2ncc3c(N)ncnc32)cc1.Nc1ncnc2c1cnn2-c1ccc(NC(=O)Nc2ccccc2F)cc1.Nc1ncnc2c1cnn2-c1ccc(NC(=O)c2ccsc2)cc1.Nc1ncnc2c1cnn2-c1ccc(NS(=O)(=O)c2ccsc2)cc1.

What is the InChIKey of N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)urea;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide?

The InChIKey is BCFLAQPPAOBZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN7O.C16H12N6OS.C15H12N6O2S2.C15H16N6O/c19-14-3-1-2-4-15(14)25-18(27)24-11-5-7-12(8-6-11)26-17-13(9-23-26)16(20)21-10-22-17;17-14-13-7-20-22(15(13)19-9-18-14)12-3-1-11(2-4-12)21-16(23)10-5-6-24-8-10;16-14-13-7-19-21(15(13)18-9-17-14)11-3-1-10(2-4-11)20-25(22,23)12-5-6-24-8-12;1-2-3-13(22)20-10-4-6-11(7-5-10)21-15-12(8-19-21)14(16)17-9-18-15/h1-10H,(H2,20,21,22)(H2,24,25,27);1-9H,(H,21,23)(H2,17,18,19);1-9,20H,(H2,16,17,18);4-9H,2-3H2,1H3,(H,20,22)(H2,16,17,18).

What are the key properties of N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)urea;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide?

N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)urea;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide has a molecular weight of 1368.50 g/mol, XLogP of 10.29, 14 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)urea;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-sulfonamide is sourced from PubChem (CID 157303911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).