1-[5-[4-[7-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanol

C27H27N7O2 — CID 91533989

About 1-[5-[4-[7-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanol

1-[5-[4-[7-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanol (PubChem CID 91533989) has the molecular formula C27H27N7O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is 1-[5-[4-[7-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanol.

Molecular Properties

• Compound Name: 1-[5-[4-[7-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanol
• PubChem CID: 91533989
• Molecular Formula: C27H27N7O2
• Molecular Weight: 481.56 g/mol
• Exact Mass: 481.22
• IUPAC Name: 1-[5-[4-[7-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanol
• SMILES: Cc1cc(C2CCN(c3nnc(C(C)O)o3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
• InChI: InChI=1S/C27H27N7O2/c1-17-14-24(20-10-12-33(13-11-20)27-32-31-26(36-27)18(2)35)30-25-22(16-29-34(17)25)21-8-9-23(28-15-21)19-6-4-3-5-7-19/h3-9,14-16,18,20,35H,10-13H2,1-2H3
• InChIKey: JDUOKXIGOWHPRY-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 105.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.56
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-[7-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanol?

The IUPAC name of 1-[5-[4-[7-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanol (CID 91533989) is 1-[5-[4-[7-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanol.

What is the SMILES notation for 1-[5-[4-[7-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanol?

The canonical SMILES for 1-[5-[4-[7-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanol is Cc1cc(C2CCN(c3nnc(C(C)O)o3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.

What is the InChIKey of 1-[5-[4-[7-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanol?

The InChIKey is JDUOKXIGOWHPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O2/c1-17-14-24(20-10-12-33(13-11-20)27-32-31-26(36-27)18(2)35)30-25-22(16-29-34(17)25)21-8-9-23(28-15-21)19-6-4-3-5-7-19/h3-9,14-16,18,20,35H,10-13H2,1-2H3.

What are the key properties of 1-[5-[4-[7-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanol?

1-[5-[4-[7-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanol has a molecular weight of 481.56 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[4-[7-methyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]ethanol is sourced from PubChem (CID 91533989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).