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;1-[3-(1H-pyrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
C92H86FN39O7S2 — CID 158812116
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-[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;1-[3-(1H-pyrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)NC(=O)Nc1cccc(-n2ncc3c(N)ncnc32)c1.CCCC(=O)Nc1cccc(-n2ncc3c(N)ncnc32)c1.COCCC(=O)Nc1cccc(-n2ncc3c(N)ncnc32)c1.Nc1ncnc2c1cnn2-c1cccc(-c2ccn[nH]2)c1.Nc1ncnc2c1cnn2-c1cccc(NC(=O)Nc2ccccc2F)c1.Nc1ncnc2c1cnn2-c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C18H14FN7O.C15H17N7O.C15H12N6O2S2.C15H16N6O2.C15H16N6O.C14H11N7/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;15-13-11-7-19-21(14(11)17-8-16-13)10-3-1-2-9(6-10)12-4-5-18-20-12/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);1-8H,(H,18,20)(H2,15,16,17)
InChIKeyIUUZUDQBIBPOLV-UHFFFAOYSA-N
MW1933.10 g/mol
LogP12.67
Rot. Bonds21
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;1-[3-(1H-pyrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
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;1-[3-(1H-pyrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 158812116) has the molecular formula C92H86FN39O7S2 and a molecular weight of 1933.10 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;1-[3-(1H-pyrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine.
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;1-[3-(1H-pyrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine |
|---|---|
| PubChem CID | 158812116 |
| Molecular Formula | C92H86FN39O7S2 |
| Molecular Weight | 1933.10 g/mol |
| Exact Mass | 1931.70 |
| 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;1-[3-(1H-pyrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine |
| 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(-c2ccn[nH]2)c1.Nc1ncnc2c1cnn2-c1cccc(NC(=O)Nc2ccccc2F)c1.Nc1ncnc2c1cnn2-c1cccc(NS(=O)(=O)c2cccs2)c1 |
| InChI | InChI=1S/C18H14FN7O.C15H17N7O.C15H12N6O2S2.C15H16N6O2.C15H16N6O.C14H11N7/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;15-13-11-7-19-21(14(11)17-8-16-13)10-3-1-2-9(6-10)12-4-5-18-20-12/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);1-8H,(H,18,20)(H2,15,16,17) |
| InChIKey | IUUZUDQBIBPOLV-UHFFFAOYSA-N |
| XLogP | 12.67 |
| TPSA | 642.26 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 141 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1933.10 |
| LogP ≤ 5 | 12.67 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 39 |
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;1-[3-(1H-pyrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine?
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;1-[3-(1H-pyrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 158812116) 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;1-[3-(1H-pyrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine.
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;1-[3-(1H-pyrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine?
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;1-[3-(1H-pyrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine 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(-c2ccn[nH]2)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;1-[3-(1H-pyrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is IUUZUDQBIBPOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN7O.C15H17N7O.C15H12N6O2S2.C15H16N6O2.C15H16N6O.C14H11N7/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;15-13-11-7-19-21(14(11)17-8-16-13)10-3-1-2-9(6-10)12-4-5-18-20-12/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);1-8H,(H,18,20)(H2,15,16,17).
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;1-[3-(1H-pyrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine?
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;1-[3-(1H-pyrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1933.10 g/mol, XLogP of 12.67, 21 rotatable bonds, 14 hydrogen bond donors, and 39 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;1-[3-(1H-pyrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158812116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 158812116 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.