3-[5-(1-morpholin-4-ylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C20H27N7O3 — CID 137018733

IUPAC3-[5-(1-morpholin-4-ylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCC(CN1CCOCC1)c1nnc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)o1
InChIInChI=1S/C20H27N7O3/c1-13(12-26-6-8-29-9-7-26)19-24-25-20(30-19)15-11-22-27-16(10-17(28)23-18(15)27)14-2-4-21-5-3-14/h10-11,13-14,21H,2-9,12H2,1H3,(H,23,28)
InChIKeyGNUOQBHHYYTDBX-UHFFFAOYSA-N
MW413.48 g/mol
LogP0.98
Rot. Bonds5

About 3-[5-(1-morpholin-4-ylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

3-[5-(1-morpholin-4-ylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018733) has the molecular formula C20H27N7O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 3-[5-(1-morpholin-4-ylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-[5-(1-morpholin-4-ylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018733
Molecular FormulaC20H27N7O3
Molecular Weight413.48 g/mol
Exact Mass413.22
IUPAC Name3-[5-(1-morpholin-4-ylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCC(CN1CCOCC1)c1nnc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)o1
InChIInChI=1S/C20H27N7O3/c1-13(12-26-6-8-29-9-7-26)19-24-25-20(30-19)15-11-22-27-16(10-17(28)23-18(15)27)14-2-4-21-5-3-14/h10-11,13-14,21H,2-9,12H2,1H3,(H,23,28)
InChIKeyGNUOQBHHYYTDBX-UHFFFAOYSA-N
XLogP0.98
TPSA113.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-morpholin-4-ylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-[5-(1-morpholin-4-ylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018733) is 3-[5-(1-morpholin-4-ylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-[5-(1-morpholin-4-ylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-[5-(1-morpholin-4-ylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is CC(CN1CCOCC1)c1nnc(-c2cnn3c(C4CCNCC4)cc(=O)[nH]c23)o1.
What is the InChIKey of 3-[5-(1-morpholin-4-ylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is GNUOQBHHYYTDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O3/c1-13(12-26-6-8-29-9-7-26)19-24-25-20(30-19)15-11-22-27-16(10-17(28)23-18(15)27)14-2-4-21-5-3-14/h10-11,13-14,21H,2-9,12H2,1H3,(H,23,28).
What are the key properties of 3-[5-(1-morpholin-4-ylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-[5-(1-morpholin-4-ylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 413.48 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-morpholin-4-ylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).