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

C30H33N9O2 — CID 121397005

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

4-[5-(azetidin-1-yl)-2-[1-[5-methyl-2-(1,2-oxazol-4-yl)quinazolin-4-yl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 121397005) has the molecular formula C30H33N9O2 and a molecular weight of 551.66 g/mol. Its IUPAC name is 4-[5-(azetidin-1-yl)-2-[1-[5-methyl-2-(1,2-oxazol-4-yl)quinazolin-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-methyl-2-(1,2-oxazol-4-yl)quinazolin-4-yl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
• PubChem CID: 121397005
• Molecular Formula: C30H33N9O2
• Molecular Weight: 551.66 g/mol
• Exact Mass: 551.28
• IUPAC Name: 4-[5-(azetidin-1-yl)-2-[1-[5-methyl-2-(1,2-oxazol-4-yl)quinazolin-4-yl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
• SMILES: Cc1cccc2nc(-c3cnoc3)nc(N3CCCCC3c3cc4nc(N5CCC5)cc(N5CCOCC5)n4n3)c12
• InChI: InChI=1S/C30H33N9O2/c1-20-6-4-7-22-28(20)30(34-29(32-22)21-18-31-41-19-21)38-11-3-2-8-24(38)23-16-26-33-25(36-9-5-10-36)17-27(39(26)35-23)37-12-14-40-15-13-37/h4,6-7,16-19,24H,2-3,5,8-15H2,1H3
• InChIKey: HZNMTBOLWKFENQ-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 100.95 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.66
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-[5-(azetidin-1-yl)-2-[1-[5-methyl-2-(1,2-oxazol-4-yl)quinazolin-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-methyl-2-(1,2-oxazol-4-yl)quinazolin-4-yl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 121397005) is 4-[5-(azetidin-1-yl)-2-[1-[5-methyl-2-(1,2-oxazol-4-yl)quinazolin-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-methyl-2-(1,2-oxazol-4-yl)quinazolin-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-methyl-2-(1,2-oxazol-4-yl)quinazolin-4-yl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is Cc1cccc2nc(-c3cnoc3)nc(N3CCCCC3c3cc4nc(N5CCC5)cc(N5CCOCC5)n4n3)c12.

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

The InChIKey is HZNMTBOLWKFENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N9O2/c1-20-6-4-7-22-28(20)30(34-29(32-22)21-18-31-41-19-21)38-11-3-2-8-24(38)23-16-26-33-25(36-9-5-10-36)17-27(39(26)35-23)37-12-14-40-15-13-37/h4,6-7,16-19,24H,2-3,5,8-15H2,1H3.

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

4-[5-(azetidin-1-yl)-2-[1-[5-methyl-2-(1,2-oxazol-4-yl)quinazolin-4-yl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 551.66 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(azetidin-1-yl)-2-[1-[5-methyl-2-(1,2-oxazol-4-yl)quinazolin-4-yl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 121397005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).