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

C78H75FN32O7S2 — CID 159636490

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

N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)urea;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methoxypropanamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-propan-2-ylurea;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 159636490) has the molecular formula C78H75FN32O7S2 and a molecular weight of 1655.81 g/mol. Its IUPAC name is N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)urea;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methoxypropanamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-propan-2-ylurea;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)urea;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methoxypropanamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-propan-2-ylurea;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-sulfonamide
• PubChem CID: 159636490
• Molecular Formula: C78H75FN32O7S2
• Molecular Weight: 1655.81 g/mol
• Exact Mass: 1654.59
• IUPAC Name: N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)urea;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methoxypropanamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-propan-2-ylurea;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-sulfonamide
• SMILES: CC(C)NC(=O)Nc1cccc(-n2ncc3c(N)ncnc32)c1.CCCC(=O)Nc1cccc(-n2ncc3c(N)ncnc32)c1.COCCC(=O)Nc1cccc(-n2ncc3c(N)ncnc32)c1.Nc1ncnc2c1cnn2-c1cccc(NC(=O)Nc2ccccc2F)c1.Nc1ncnc2c1cnn2-c1cccc(NS(=O)(=O)c2cccs2)c1
• InChI: InChI=1S/C18H14FN7O.C15H17N7O.C15H12N6O2S2.C15H16N6O2.C15H16N6O/c19-14-6-1-2-7-15(14)25-18(27)24-11-4-3-5-12(8-11)26-17-13(9-23-26)16(20)21-10-22-17;1-9(2)20-15(23)21-10-4-3-5-11(6-10)22-14-12(7-19-22)13(16)17-8-18-14;16-14-12-8-19-21(15(12)18-9-17-14)11-4-1-3-10(7-11)20-25(22,23)13-5-2-6-24-13;1-23-6-5-13(22)20-10-3-2-4-11(7-10)21-15-12(8-19-21)14(16)17-9-18-15;1-2-4-13(22)20-10-5-3-6-11(7-10)21-15-12(8-19-21)14(16)17-9-18-15/h1-10H,(H2,20,21,22)(H2,24,25,27);3-9H,1-2H3,(H2,16,17,18)(H2,20,21,23);1-9,20H,(H2,16,17,18);2-4,7-9H,5-6H2,1H3,(H,20,22)(H2,16,17,18);3,5-9H,2,4H2,1H3,(H,20,22)(H2,16,17,18)
• InChIKey: MPUUAYHHKBXWHO-UHFFFAOYSA-N
• XLogP: 10.88
• TPSA: 543.96 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 33
• Rotatable Bonds: 19
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1655.81
LogP ≤ 5	10.88
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

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

The IUPAC name of N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)urea;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methoxypropanamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-propan-2-ylurea;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-sulfonamide (CID 159636490) is N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)urea;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methoxypropanamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-propan-2-ylurea;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-sulfonamide.

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

The canonical SMILES for N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)urea;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methoxypropanamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-propan-2-ylurea;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-sulfonamide is CC(C)NC(=O)Nc1cccc(-n2ncc3c(N)ncnc32)c1.CCCC(=O)Nc1cccc(-n2ncc3c(N)ncnc32)c1.COCCC(=O)Nc1cccc(-n2ncc3c(N)ncnc32)c1.Nc1ncnc2c1cnn2-c1cccc(NC(=O)Nc2ccccc2F)c1.Nc1ncnc2c1cnn2-c1cccc(NS(=O)(=O)c2cccs2)c1.

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

The InChIKey is MPUUAYHHKBXWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN7O.C15H17N7O.C15H12N6O2S2.C15H16N6O2.C15H16N6O/c19-14-6-1-2-7-15(14)25-18(27)24-11-4-3-5-12(8-11)26-17-13(9-23-26)16(20)21-10-22-17;1-9(2)20-15(23)21-10-4-3-5-11(6-10)22-14-12(7-19-22)13(16)17-8-18-14;16-14-12-8-19-21(15(12)18-9-17-14)11-4-1-3-10(7-11)20-25(22,23)13-5-2-6-24-13;1-23-6-5-13(22)20-10-3-2-4-11(7-10)21-15-12(8-19-21)14(16)17-9-18-15;1-2-4-13(22)20-10-5-3-6-11(7-10)21-15-12(8-19-21)14(16)17-9-18-15/h1-10H,(H2,20,21,22)(H2,24,25,27);3-9H,1-2H3,(H2,16,17,18)(H2,20,21,23);1-9,20H,(H2,16,17,18);2-4,7-9H,5-6H2,1H3,(H,20,22)(H2,16,17,18);3,5-9H,2,4H2,1H3,(H,20,22)(H2,16,17,18).

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

N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)urea;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methoxypropanamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-propan-2-ylurea;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 1655.81 g/mol, XLogP of 10.88, 19 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butanamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)urea;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methoxypropanamide;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-propan-2-ylurea;N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 159636490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).