4-[[3-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methyl]morpholine

C30H35N5O2 — CID 59495030

About 4-[[3-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methyl]morpholine

4-[[3-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methyl]morpholine (PubChem CID 59495030) has the molecular formula C30H35N5O2 and a molecular weight of 497.64 g/mol. Its IUPAC name is 4-[[3-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methyl]morpholine.

Molecular Properties

• Compound Name: 4-[[3-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methyl]morpholine
• PubChem CID: 59495030
• Molecular Formula: C30H35N5O2
• Molecular Weight: 497.64 g/mol
• Exact Mass: 497.28
• IUPAC Name: 4-[[3-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methyl]morpholine
• SMILES: c1cc(CN2CCOCC2)cc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)c1
• InChI: InChI=1S/C30H35N5O2/c1-2-11-33(12-3-1)15-18-37-28-9-7-25(8-10-28)27-20-31-30-29(21-32-35(30)23-27)26-6-4-5-24(19-26)22-34-13-16-36-17-14-34/h4-10,19-21,23H,1-3,11-18,22H2
• InChIKey: BBQLVWOIXSKDFJ-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 55.13 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.64
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-[[3-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methyl]morpholine (CID 59495030) is 4-[[3-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methyl]morpholine.

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

The canonical SMILES for 4-[[3-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methyl]morpholine is c1cc(CN2CCOCC2)cc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)c1.

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

The InChIKey is BBQLVWOIXSKDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O2/c1-2-11-33(12-3-1)15-18-37-28-9-7-25(8-10-28)27-20-31-30-29(21-32-35(30)23-27)26-6-4-5-24(19-26)22-34-13-16-36-17-14-34/h4-10,19-21,23H,1-3,11-18,22H2.

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

4-[[3-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methyl]morpholine has a molecular weight of 497.64 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 59495030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).