N-[4-[4-amino-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]formamide;5-tert-butyl-N-methyl-1,2-oxazol-3-amine

C32H37N9O4 — CID 145410137

About N-[4-[4-amino-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]formamide;5-tert-butyl-N-methyl-1,2-oxazol-3-amine

N-[4-[4-amino-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]formamide;5-tert-butyl-N-methyl-1,2-oxazol-3-amine (PubChem CID 145410137) has the molecular formula C32H37N9O4 and a molecular weight of 611.71 g/mol. Its IUPAC name is N-[4-[4-amino-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]formamide;5-tert-butyl-N-methyl-1,2-oxazol-3-amine.

Molecular Properties

• Compound Name: N-[4-[4-amino-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]formamide;5-tert-butyl-N-methyl-1,2-oxazol-3-amine
• PubChem CID: 145410137
• Molecular Formula: C32H37N9O4
• Molecular Weight: 611.71 g/mol
• Exact Mass: 611.30
• IUPAC Name: N-[4-[4-amino-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]formamide;5-tert-butyl-N-methyl-1,2-oxazol-3-amine
• SMILES: CNc1cc(C(C)(C)C)on1.Nc1ncnc2c1c(-c1ccc(CC(=O)N3CCOCC3)cc1)nn2-c1ccc(NC=O)cc1
• InChI: InChI=1S/C24H23N7O3.C8H14N2O/c25-23-21-22(17-3-1-16(2-4-17)13-20(33)30-9-11-34-12-10-30)29-31(24(21)27-14-26-23)19-7-5-18(6-8-19)28-15-32;1-8(2,3)6-5-7(9-4)10-11-6/h1-8,14-15H,9-13H2,(H,28,32)(H2,25,26,27);5H,1-4H3,(H,9,10)
• InChIKey: YCMWYLQXIOIYMU-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 166.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.71
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]formamide;5-tert-butyl-N-methyl-1,2-oxazol-3-amine?

The IUPAC name of N-[4-[4-amino-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]formamide;5-tert-butyl-N-methyl-1,2-oxazol-3-amine (CID 145410137) is N-[4-[4-amino-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]formamide;5-tert-butyl-N-methyl-1,2-oxazol-3-amine.

What is the SMILES notation for N-[4-[4-amino-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]formamide;5-tert-butyl-N-methyl-1,2-oxazol-3-amine?

The canonical SMILES for N-[4-[4-amino-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]formamide;5-tert-butyl-N-methyl-1,2-oxazol-3-amine is CNc1cc(C(C)(C)C)on1.Nc1ncnc2c1c(-c1ccc(CC(=O)N3CCOCC3)cc1)nn2-c1ccc(NC=O)cc1.

What is the InChIKey of N-[4-[4-amino-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]formamide;5-tert-butyl-N-methyl-1,2-oxazol-3-amine?

The InChIKey is YCMWYLQXIOIYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O3.C8H14N2O/c25-23-21-22(17-3-1-16(2-4-17)13-20(33)30-9-11-34-12-10-30)29-31(24(21)27-14-26-23)19-7-5-18(6-8-19)28-15-32;1-8(2,3)6-5-7(9-4)10-11-6/h1-8,14-15H,9-13H2,(H,28,32)(H2,25,26,27);5H,1-4H3,(H,9,10).

What are the key properties of N-[4-[4-amino-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]formamide;5-tert-butyl-N-methyl-1,2-oxazol-3-amine?

N-[4-[4-amino-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]formamide;5-tert-butyl-N-methyl-1,2-oxazol-3-amine has a molecular weight of 611.71 g/mol, XLogP of 4.05, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-amino-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]formamide;5-tert-butyl-N-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 145410137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).