1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]urea

C155H178N27O16+ — CID 161445905

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]urea

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]urea (PubChem CID 161445905) has the molecular formula C155H178N27O16+ and a molecular weight of 2675.30 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]urea.

Molecular Properties

• Compound Name: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]urea
• PubChem CID: 161445905
• Molecular Formula: C155H178N27O16+
• Molecular Weight: 2675.30 g/mol
• Exact Mass: 2673.39
• IUPAC Name: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]urea
• SMILES: CC(C)(C)c1cc(CC(=O)Cc2ccc(C#CC3=CN=[N+]4C(OCCN5CCCCC5)=CC=NC34)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3cnn4c(OCCCN5CCCCC5)ccnc34)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3cnn4cc(OCCCN5CCCCC5)cnc34)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3cnn4cc(OCCN5CCOCC5)cnc34)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(C#Cc3cnn4ccc(OCCCN5CCCCC5)nc34)cc2)no1
• InChI: InChI=1S/2C32H37N5O3.C31H36N5O3.C30H35N7O3.C30H33N5O4/c1-32(2,3)29-22-27(35-40-29)21-28(38)20-25-10-8-24(9-11-25)12-13-26-23-34-37-30(14-15-33-31(26)37)39-19-7-18-36-16-5-4-6-17-36;1-32(2,3)30-20-27(35-40-30)19-28(38)18-25-10-8-24(9-11-25)12-13-26-21-34-37-23-29(22-33-31(26)37)39-17-7-16-36-14-5-4-6-15-36;1-31(2,3)28-21-26(34-39-28)20-27(37)19-24-9-7-23(8-10-24)11-12-25-22-33-36-29(13-14-32-30(25)36)38-18-17-35-15-5-4-6-16-35;1-30(2,3)25-20-26(35-40-25)33-29(38)32-24-12-9-22(10-13-24)8-11-23-21-31-37-18-14-27(34-28(23)37)39-19-7-17-36-15-5-4-6-16-36;1-30(2,3)28-18-25(33-39-28)17-26(36)16-23-6-4-22(5-7-23)8-9-24-19-32-35-21-27(20-31-29(24)35)38-15-12-34-10-13-37-14-11-34/h8-11,14-15,22-23H,4-7,16-21H2,1-3H3;8-11,20-23H,4-7,14-19H2,1-3H3;7-10,13-14,21-22,30H,4-6,15-20H2,1-3H3;9-10,12-14,18,20-21H,4-7,15-17,19H2,1-3H3,(H2,32,33,35,38);4-7,18-21H,10-17H2,1-3H3/q;;+1
• InChIKey: MBTXBEYQESBVSY-UHFFFAOYSA-N
• XLogP: 23.64
• TPSA: 459.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 40
• Rotatable Bonds: 41
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2675.30
LogP ≤ 5	23.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]urea?

The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]urea (CID 161445905) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]urea.

What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]urea?

The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]urea is CC(C)(C)c1cc(CC(=O)Cc2ccc(C#CC3=CN=[N+]4C(OCCN5CCCCC5)=CC=NC34)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3cnn4c(OCCCN5CCCCC5)ccnc34)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3cnn4cc(OCCCN5CCCCC5)cnc34)cc2)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(C#Cc3cnn4cc(OCCN5CCOCC5)cnc34)cc2)no1.CC(C)(C)c1cc(NC(=O)Nc2ccc(C#Cc3cnn4ccc(OCCCN5CCCCC5)nc34)cc2)no1.

What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]urea?

The InChIKey is MBTXBEYQESBVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H37N5O3.C31H36N5O3.C30H35N7O3.C30H33N5O4/c1-32(2,3)29-22-27(35-40-29)21-28(38)20-25-10-8-24(9-11-25)12-13-26-23-34-37-30(14-15-33-31(26)37)39-19-7-18-36-16-5-4-6-17-36;1-32(2,3)30-20-27(35-40-30)19-28(38)18-25-10-8-24(9-11-25)12-13-26-21-34-37-23-29(22-33-31(26)37)39-17-7-16-36-14-5-4-6-15-36;1-31(2,3)28-21-26(34-39-28)20-27(37)19-24-9-7-23(8-10-24)11-12-25-22-33-36-29(13-14-32-30(25)36)38-18-17-35-15-5-4-6-16-35;1-30(2,3)25-20-26(35-40-25)33-29(38)32-24-12-9-22(10-13-24)8-11-23-21-31-37-18-14-27(34-28(23)37)39-19-7-17-36-15-5-4-6-16-36;1-30(2,3)28-18-25(33-39-28)17-26(36)16-23-6-4-22(5-7-23)8-9-24-19-32-35-21-27(20-31-29(24)35)38-15-12-34-10-13-37-14-11-34/h8-11,14-15,22-23H,4-7,16-21H2,1-3H3;8-11,20-23H,4-7,14-19H2,1-3H3;7-10,13-14,21-22,30H,4-6,15-20H2,1-3H3;9-10,12-14,18,20-21H,4-7,15-17,19H2,1-3H3,(H2,32,33,35,38);4-7,18-21H,10-17H2,1-3H3/q;;+1;;.

What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]urea?

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]urea has a molecular weight of 2675.30 g/mol, XLogP of 23.64, 41 rotatable bonds, 2 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(2-piperidin-1-ylethoxy)-3aH-pyrazolo[1,5-a]pyrimidin-8-ium-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[6-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[7-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[5-(3-piperidin-1-ylpropoxy)pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]phenyl]urea is sourced from PubChem (CID 161445905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).