3-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-methylpropanamide;2-[4-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol

C36H35N15O3 — CID 159568772

IUPAC3-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-methylpropanamide;2-[4-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol
SMILESCNC(=O)CCn1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc21.Cc1nccn1CCn1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc21
InChIInChI=1S/C19H18N8O.C17H17N7O2/c1-11-21-4-5-26(11)6-7-27-19-16(18(20)22-10-23-19)17(25-27)15-9-12-8-13(28)2-3-14(12)24-15;1-19-13(26)4-5-24-17-14(16(18)20-8-21-17)15(23-24)12-7-9-6-10(25)2-3-11(9)22-12/h2-5,8-10,24,28H,6-7H2,1H3,(H2,20,22,23);2-3,6-8,22,25H,4-5H2,1H3,(H,19,26)(H2,18,20,21)
InChIKeyMHNVBQAEEKGVFT-UHFFFAOYSA-N
MW725.78 g/mol
LogP3.87
Rot. Bonds8

About 3-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-methylpropanamide;2-[4-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol

3-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-methylpropanamide;2-[4-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol (PubChem CID 159568772) has the molecular formula C36H35N15O3 and a molecular weight of 725.78 g/mol. Its IUPAC name is 3-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-methylpropanamide;2-[4-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol.

Molecular Properties

Compound Name3-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-methylpropanamide;2-[4-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol
PubChem CID159568772
Molecular FormulaC36H35N15O3
Molecular Weight725.78 g/mol
Exact Mass725.30
IUPAC Name3-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-methylpropanamide;2-[4-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol
SMILESCNC(=O)CCn1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc21.Cc1nccn1CCn1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc21
InChIInChI=1S/C19H18N8O.C17H17N7O2/c1-11-21-4-5-26(11)6-7-27-19-16(18(20)22-10-23-19)17(25-27)15-9-12-8-13(28)2-3-14(12)24-15;1-19-13(26)4-5-24-17-14(16(18)20-8-21-17)15(23-24)12-7-9-6-10(25)2-3-11(9)22-12/h2-5,8-10,24,28H,6-7H2,1H3,(H2,20,22,23);2-3,6-8,22,25H,4-5H2,1H3,(H,19,26)(H2,18,20,21)
InChIKeyMHNVBQAEEKGVFT-UHFFFAOYSA-N
XLogP3.87
TPSA258.20 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500725.78
LogP ≤ 53.87
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Analyze 3-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-methylpropanamide;2-[4-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-methylpropanamide;2-[4-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol?
The IUPAC name of 3-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-methylpropanamide;2-[4-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol (CID 159568772) is 3-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-methylpropanamide;2-[4-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol.
What is the SMILES notation for 3-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-methylpropanamide;2-[4-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol?
The canonical SMILES for 3-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-methylpropanamide;2-[4-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol is CNC(=O)CCn1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc21.Cc1nccn1CCn1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc21.
What is the InChIKey of 3-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-methylpropanamide;2-[4-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol?
The InChIKey is MHNVBQAEEKGVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O.C17H17N7O2/c1-11-21-4-5-26(11)6-7-27-19-16(18(20)22-10-23-19)17(25-27)15-9-12-8-13(28)2-3-14(12)24-15;1-19-13(26)4-5-24-17-14(16(18)20-8-21-17)15(23-24)12-7-9-6-10(25)2-3-11(9)22-12/h2-5,8-10,24,28H,6-7H2,1H3,(H2,20,22,23);2-3,6-8,22,25H,4-5H2,1H3,(H,19,26)(H2,18,20,21).
What are the key properties of 3-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-methylpropanamide;2-[4-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol?
3-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-methylpropanamide;2-[4-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol has a molecular weight of 725.78 g/mol, XLogP of 3.87, 8 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-N-methylpropanamide;2-[4-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol is sourced from PubChem (CID 159568772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).