N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;1-(4-aminophenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-(5-tert-butyl-1,2-oxazol-3-yl)imidazole-1-carboxamide;chloroform;methane

C68H80Cl3N19O8 — CID 158295330

IUPACN-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;1-(4-aminophenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-(5-tert-butyl-1,2-oxazol-3-yl)imidazole-1-carboxamide;chloroform;methane
SMILESC.CC(C)(C)c1cc(CC(=O)Nc2ccc(-n3nc(-c4ccc(OCCN5CCOCC5)cc4)c4c(N)ncnc43)cc2)no1.CC(C)(C)c1cc(NC(=O)n2ccnc2)no1.ClC(Cl)Cl.Nc1ccc(-n2nc(-c3ccc(OCCN4CCOCC4)cc3)c3c(N)ncnc32)cc1
InChIInChI=1S/C32H36N8O4.C23H25N7O2.C11H14N4O2.CHCl3.CH4/c1-32(2,3)26-18-23(38-44-26)19-27(41)36-22-6-8-24(9-7-22)40-31-28(30(33)34-20-35-31)29(37-40)21-4-10-25(11-5-21)43-17-14-39-12-15-42-16-13-39;24-17-3-5-18(6-4-17)30-23-20(22(25)26-15-27-23)21(28-30)16-1-7-19(8-2-16)32-14-11-29-9-12-31-13-10-29;1-11(2,3)8-6-9(14-17-8)13-10(16)15-5-4-12-7-15;2-1(3)4;/h4-11,18,20H,12-17,19H2,1-3H3,(H,36,41)(H2,33,34,35);1-8,15H,9-14,24H2,(H2,25,26,27);4-7H,1-3H3,(H,13,14,16);1H;1H4
InChIKeyGLVNDVXLLMHBMB-UHFFFAOYSA-N
MW1397.87 g/mol
LogP11.47
Rot. Bonds16

About N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;1-(4-aminophenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-(5-tert-butyl-1,2-oxazol-3-yl)imidazole-1-carboxamide;chloroform;methane

N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;1-(4-aminophenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-(5-tert-butyl-1,2-oxazol-3-yl)imidazole-1-carboxamide;chloroform;methane (PubChem CID 158295330) has the molecular formula C68H80Cl3N19O8 and a molecular weight of 1397.87 g/mol. Its IUPAC name is N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;1-(4-aminophenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-(5-tert-butyl-1,2-oxazol-3-yl)imidazole-1-carboxamide;chloroform;methane.

Molecular Properties

Compound NameN-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;1-(4-aminophenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-(5-tert-butyl-1,2-oxazol-3-yl)imidazole-1-carboxamide;chloroform;methane
PubChem CID158295330
Molecular FormulaC68H80Cl3N19O8
Molecular Weight1397.87 g/mol
Exact Mass1395.55
IUPAC NameN-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;1-(4-aminophenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-(5-tert-butyl-1,2-oxazol-3-yl)imidazole-1-carboxamide;chloroform;methane
SMILESC.CC(C)(C)c1cc(CC(=O)Nc2ccc(-n3nc(-c4ccc(OCCN5CCOCC5)cc4)c4c(N)ncnc43)cc2)no1.CC(C)(C)c1cc(NC(=O)n2ccnc2)no1.ClC(Cl)Cl.Nc1ccc(-n2nc(-c3ccc(OCCN4CCOCC4)cc3)c3c(N)ncnc32)cc1
InChIInChI=1S/C32H36N8O4.C23H25N7O2.C11H14N4O2.CHCl3.CH4/c1-32(2,3)26-18-23(38-44-26)19-27(41)36-22-6-8-24(9-7-22)40-31-28(30(33)34-20-35-31)29(37-40)21-4-10-25(11-5-21)43-17-14-39-12-15-42-16-13-39;24-17-3-5-18(6-4-17)30-23-20(22(25)26-15-27-23)21(28-30)16-1-7-19(8-2-16)32-14-11-29-9-12-31-13-10-29;1-11(2,3)8-6-9(14-17-8)13-10(16)15-5-4-12-7-15;2-1(3)4;/h4-11,18,20H,12-17,19H2,1-3H3,(H,36,41)(H2,33,34,35);1-8,15H,9-14,24H2,(H2,25,26,27);4-7H,1-3H3,(H,13,14,16);1H;1H4
InChIKeyGLVNDVXLLMHBMB-UHFFFAOYSA-N
XLogP11.47
TPSA336.74 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds16
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001397.87
LogP ≤ 511.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-amino-3-[3-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;N-[4-[4-amino-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;1-[3-[4-amino-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 157121890
4-[4-amino-1-[4-[[2-(5-tert-butyl-1,2-oxazol-3-yl)acetyl]amino]phenyl]pyrazolo[3,4-d]pyrimidin-3-yl]benzamide
CID 157354211
N-[4-[4-amino-3-[4-(cyclopropylsulfonylamino)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
CID 157314908
N-[4-[4-amino-3-(4-cyclohexylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;N-[4-[4-amino-3-[4-[1-(2-hydroxyethyl)piperidin-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;N-[4-[4-amino-3-[4-(1-methylpiperidin-4-yl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
CID 157072507
4-[4-amino-1-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-morpholin-2-ylbenzamide
CID 175115540
4-[4-amino-1-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-dimethylbenzamide
CID 138520871
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]-2-oxoethyl]phenyl]urea
CID 146729675
N-[4-[2-(4-aminophenyl)ethyl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide
CID 59420452
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-fluoro-3-(2-morpholin-4-ylethoxy)phenyl]ethynyl]phenyl]urea
CID 118669368
5-tert-butyl-1,2-oxazol-3-amine;N-(5-tert-butyl-1,2-oxazol-3-yl)imidazole-1-carboxamide;1,2-dichloroethane;di(imidazol-1-yl)methanone;methane
CID 162210969
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[6-(2-morpholin-4-ylethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea;hydrochloride
CID 25235536
2-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-[2-[4-fluoro-3-(2-piperidin-1-ylethoxy)phenyl]ethynyl]phenyl]acetamide
CID 159434390

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;1-(4-aminophenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-(5-tert-butyl-1,2-oxazol-3-yl)imidazole-1-carboxamide;chloroform;methane?
The IUPAC name of N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;1-(4-aminophenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-(5-tert-butyl-1,2-oxazol-3-yl)imidazole-1-carboxamide;chloroform;methane (CID 158295330) is N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;1-(4-aminophenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-(5-tert-butyl-1,2-oxazol-3-yl)imidazole-1-carboxamide;chloroform;methane.
What is the SMILES notation for N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;1-(4-aminophenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-(5-tert-butyl-1,2-oxazol-3-yl)imidazole-1-carboxamide;chloroform;methane?
The canonical SMILES for N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;1-(4-aminophenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-(5-tert-butyl-1,2-oxazol-3-yl)imidazole-1-carboxamide;chloroform;methane is C.CC(C)(C)c1cc(CC(=O)Nc2ccc(-n3nc(-c4ccc(OCCN5CCOCC5)cc4)c4c(N)ncnc43)cc2)no1.CC(C)(C)c1cc(NC(=O)n2ccnc2)no1.ClC(Cl)Cl.Nc1ccc(-n2nc(-c3ccc(OCCN4CCOCC4)cc3)c3c(N)ncnc32)cc1.
What is the InChIKey of N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;1-(4-aminophenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-(5-tert-butyl-1,2-oxazol-3-yl)imidazole-1-carboxamide;chloroform;methane?
The InChIKey is GLVNDVXLLMHBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N8O4.C23H25N7O2.C11H14N4O2.CHCl3.CH4/c1-32(2,3)26-18-23(38-44-26)19-27(41)36-22-6-8-24(9-7-22)40-31-28(30(33)34-20-35-31)29(37-40)21-4-10-25(11-5-21)43-17-14-39-12-15-42-16-13-39;24-17-3-5-18(6-4-17)30-23-20(22(25)26-15-27-23)21(28-30)16-1-7-19(8-2-16)32-14-11-29-9-12-31-13-10-29;1-11(2,3)8-6-9(14-17-8)13-10(16)15-5-4-12-7-15;2-1(3)4;/h4-11,18,20H,12-17,19H2,1-3H3,(H,36,41)(H2,33,34,35);1-8,15H,9-14,24H2,(H2,25,26,27);4-7H,1-3H3,(H,13,14,16);1H;1H4.
What are the key properties of N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;1-(4-aminophenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-(5-tert-butyl-1,2-oxazol-3-yl)imidazole-1-carboxamide;chloroform;methane?
N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;1-(4-aminophenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-(5-tert-butyl-1,2-oxazol-3-yl)imidazole-1-carboxamide;chloroform;methane has a molecular weight of 1397.87 g/mol, XLogP of 11.47, 16 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-amino-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide;1-(4-aminophenyl)-3-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-(5-tert-butyl-1,2-oxazol-3-yl)imidazole-1-carboxamide;chloroform;methane is sourced from PubChem (CID 158295330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).