4-[4-[(1-hydroxycyclopropyl)methoxy]cyclohexyl]-6-[[4-[6-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)cyclohexa-1,3-dien-1-yl]phenyl]methyl]-7-propylpyrazolo[1,5-a]pyrimidin-5-one

C34H41N5O5 — CID 163981432

About 4-[4-[(1-hydroxycyclopropyl)methoxy]cyclohexyl]-6-[[4-[6-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)cyclohexa-1,3-dien-1-yl]phenyl]methyl]-7-propylpyrazolo[1,5-a]pyrimidin-5-one

4-[4-[(1-hydroxycyclopropyl)methoxy]cyclohexyl]-6-[[4-[6-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)cyclohexa-1,3-dien-1-yl]phenyl]methyl]-7-propylpyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 163981432) has the molecular formula C34H41N5O5 and a molecular weight of 599.73 g/mol. Its IUPAC name is 4-[4-[(1-hydroxycyclopropyl)methoxy]cyclohexyl]-6-[[4-[6-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)cyclohexa-1,3-dien-1-yl]phenyl]methyl]-7-propylpyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 4-[4-[(1-hydroxycyclopropyl)methoxy]cyclohexyl]-6-[[4-[6-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)cyclohexa-1,3-dien-1-yl]phenyl]methyl]-7-propylpyrazolo[1,5-a]pyrimidin-5-one
• PubChem CID: 163981432
• Molecular Formula: C34H41N5O5
• Molecular Weight: 599.73 g/mol
• Exact Mass: 599.31
• IUPAC Name: 4-[4-[(1-hydroxycyclopropyl)methoxy]cyclohexyl]-6-[[4-[6-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)cyclohexa-1,3-dien-1-yl]phenyl]methyl]-7-propylpyrazolo[1,5-a]pyrimidin-5-one
• SMILES: CCCc1c(Cc2ccc(C3=CC=CCC3C3=NC(O)ON3)cc2)c(=O)n(C2CCC(OCC3(O)CC3)CC2)c2ccnn12
• InChI: InChI=1S/C34H41N5O5/c1-2-5-29-28(20-22-8-10-23(11-9-22)26-6-3-4-7-27(26)31-36-33(41)44-37-31)32(40)38(30-16-19-35-39(29)30)24-12-14-25(15-13-24)43-21-34(42)17-18-34/h3-4,6,8-11,16,19,24-25,27,33,41-42H,2,5,7,12-15,17-18,20-21H2,1H3,(H,36,37)
• InChIKey: SYSUSBMMGJTHIZ-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 122.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	599.73
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1-hydroxycyclopropyl)methoxy]cyclohexyl]-6-[[4-[6-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)cyclohexa-1,3-dien-1-yl]phenyl]methyl]-7-propylpyrazolo[1,5-a]pyrimidin-5-one?

The IUPAC name of 4-[4-[(1-hydroxycyclopropyl)methoxy]cyclohexyl]-6-[[4-[6-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)cyclohexa-1,3-dien-1-yl]phenyl]methyl]-7-propylpyrazolo[1,5-a]pyrimidin-5-one (CID 163981432) is 4-[4-[(1-hydroxycyclopropyl)methoxy]cyclohexyl]-6-[[4-[6-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)cyclohexa-1,3-dien-1-yl]phenyl]methyl]-7-propylpyrazolo[1,5-a]pyrimidin-5-one.

What is the SMILES notation for 4-[4-[(1-hydroxycyclopropyl)methoxy]cyclohexyl]-6-[[4-[6-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)cyclohexa-1,3-dien-1-yl]phenyl]methyl]-7-propylpyrazolo[1,5-a]pyrimidin-5-one?

The canonical SMILES for 4-[4-[(1-hydroxycyclopropyl)methoxy]cyclohexyl]-6-[[4-[6-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)cyclohexa-1,3-dien-1-yl]phenyl]methyl]-7-propylpyrazolo[1,5-a]pyrimidin-5-one is CCCc1c(Cc2ccc(C3=CC=CCC3C3=NC(O)ON3)cc2)c(=O)n(C2CCC(OCC3(O)CC3)CC2)c2ccnn12.

What is the InChIKey of 4-[4-[(1-hydroxycyclopropyl)methoxy]cyclohexyl]-6-[[4-[6-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)cyclohexa-1,3-dien-1-yl]phenyl]methyl]-7-propylpyrazolo[1,5-a]pyrimidin-5-one?

The InChIKey is SYSUSBMMGJTHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N5O5/c1-2-5-29-28(20-22-8-10-23(11-9-22)26-6-3-4-7-27(26)31-36-33(41)44-37-31)32(40)38(30-16-19-35-39(29)30)24-12-14-25(15-13-24)43-21-34(42)17-18-34/h3-4,6,8-11,16,19,24-25,27,33,41-42H,2,5,7,12-15,17-18,20-21H2,1H3,(H,36,37).

What are the key properties of 4-[4-[(1-hydroxycyclopropyl)methoxy]cyclohexyl]-6-[[4-[6-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)cyclohexa-1,3-dien-1-yl]phenyl]methyl]-7-propylpyrazolo[1,5-a]pyrimidin-5-one?

4-[4-[(1-hydroxycyclopropyl)methoxy]cyclohexyl]-6-[[4-[6-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)cyclohexa-1,3-dien-1-yl]phenyl]methyl]-7-propylpyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 599.73 g/mol, XLogP of 4.23, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[(1-hydroxycyclopropyl)methoxy]cyclohexyl]-6-[[4-[6-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)cyclohexa-1,3-dien-1-yl]phenyl]methyl]-7-propylpyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 163981432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).