4-[5-(azetidin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

C27H32N8O — CID 121396967

About 4-[5-(azetidin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

4-[5-(azetidin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 121396967) has the molecular formula C27H32N8O and a molecular weight of 484.61 g/mol. Its IUPAC name is 4-[5-(azetidin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

• Compound Name: 4-[5-(azetidin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
• PubChem CID: 121396967
• Molecular Formula: C27H32N8O
• Molecular Weight: 484.61 g/mol
• Exact Mass: 484.27
• IUPAC Name: 4-[5-(azetidin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
• SMILES: Cc1cccc2ncnc(N3CCCCC3c3cc4nc(N5CCC5)cc(N5CCOCC5)n4n3)c12
• InChI: InChI=1S/C27H32N8O/c1-19-6-4-7-20-26(19)27(29-18-28-20)34-11-3-2-8-22(34)21-16-24-30-23(32-9-5-10-32)17-25(35(24)31-21)33-12-14-36-15-13-33/h4,6-7,16-18,22H,2-3,5,8-15H2,1H3
• InChIKey: HUNMKFWMZNNTRA-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 74.92 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.61
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[5-(azetidin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?

The IUPAC name of 4-[5-(azetidin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 121396967) is 4-[5-(azetidin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

What is the SMILES notation for 4-[5-(azetidin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?

The canonical SMILES for 4-[5-(azetidin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is Cc1cccc2ncnc(N3CCCCC3c3cc4nc(N5CCC5)cc(N5CCOCC5)n4n3)c12.

What is the InChIKey of 4-[5-(azetidin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?

The InChIKey is HUNMKFWMZNNTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N8O/c1-19-6-4-7-20-26(19)27(29-18-28-20)34-11-3-2-8-22(34)21-16-24-30-23(32-9-5-10-32)17-25(35(24)31-21)33-12-14-36-15-13-33/h4,6-7,16-18,22H,2-3,5,8-15H2,1H3.

What are the key properties of 4-[5-(azetidin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?

4-[5-(azetidin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 484.61 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(azetidin-1-yl)-2-[1-(5-methylquinazolin-4-yl)piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 121396967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).