4-[4-[5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]morpholine

C26H26N8O2 — CID 172819597

About 4-[4-[5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]morpholine

4-[4-[5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]morpholine (PubChem CID 172819597) has the molecular formula C26H26N8O2 and a molecular weight of 482.55 g/mol. Its IUPAC name is 4-[4-[5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]morpholine.

Molecular Properties

• Compound Name: 4-[4-[5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]morpholine
• PubChem CID: 172819597
• Molecular Formula: C26H26N8O2
• Molecular Weight: 482.55 g/mol
• Exact Mass: 482.22
• IUPAC Name: 4-[4-[5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]morpholine
• SMILES: C[C@@H](Cn1cnnn1)Oc1cccc(-c2ccn3ncc(-c4ccc(N5CCOCC5)cc4)c3n2)c1
• InChI: InChI=1S/C26H26N8O2/c1-19(17-33-18-27-30-31-33)36-23-4-2-3-21(15-23)25-9-10-34-26(29-25)24(16-28-34)20-5-7-22(8-6-20)32-11-13-35-14-12-32/h2-10,15-16,18-19H,11-14,17H2,1H3/t19-/m0/s1
• InChIKey: UATQEWAXSQGPNX-IBGZPJMESA-N
• XLogP: 3.35
• TPSA: 95.49 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.55
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]morpholine?

The IUPAC name of 4-[4-[5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]morpholine (CID 172819597) is 4-[4-[5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]morpholine.

What is the SMILES notation for 4-[4-[5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]morpholine?

The canonical SMILES for 4-[4-[5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]morpholine is C[C@@H](Cn1cnnn1)Oc1cccc(-c2ccn3ncc(-c4ccc(N5CCOCC5)cc4)c3n2)c1.

What is the InChIKey of 4-[4-[5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]morpholine?

The InChIKey is UATQEWAXSQGPNX-IBGZPJMESA-N. The full InChI is InChI=1S/C26H26N8O2/c1-19(17-33-18-27-30-31-33)36-23-4-2-3-21(15-23)25-9-10-34-26(29-25)24(16-28-34)20-5-7-22(8-6-20)32-11-13-35-14-12-32/h2-10,15-16,18-19H,11-14,17H2,1H3/t19-/m0/s1.

What are the key properties of 4-[4-[5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]morpholine?

4-[4-[5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]morpholine has a molecular weight of 482.55 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[5-[3-[(2S)-1-(tetrazol-1-yl)propan-2-yl]oxyphenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]morpholine is sourced from PubChem (CID 172819597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).