3-[(2,2-dimethylmorpholin-4-yl)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C18H27N5O2 — CID 137018666

IUPAC3-[(2,2-dimethylmorpholin-4-yl)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCC1(C)CN(Cc2cnn3c(C4CCNCC4)cc(=O)[nH]c23)CCO1
InChIInChI=1S/C18H27N5O2/c1-18(2)12-22(7-8-25-18)11-14-10-20-23-15(9-16(24)21-17(14)23)13-3-5-19-6-4-13/h9-10,13,19H,3-8,11-12H2,1-2H3,(H,21,24)
InChIKeyGDBNSXXZLNQWMH-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.10
Rot. Bonds3

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

3-[(2,2-dimethylmorpholin-4-yl)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137018666) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 3-[(2,2-dimethylmorpholin-4-yl)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-[(2,2-dimethylmorpholin-4-yl)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137018666
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name3-[(2,2-dimethylmorpholin-4-yl)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCC1(C)CN(Cc2cnn3c(C4CCNCC4)cc(=O)[nH]c23)CCO1
InChIInChI=1S/C18H27N5O2/c1-18(2)12-22(7-8-25-18)11-14-10-20-23-15(9-16(24)21-17(14)23)13-3-5-19-6-4-13/h9-10,13,19H,3-8,11-12H2,1-2H3,(H,21,24)
InChIKeyGDBNSXXZLNQWMH-UHFFFAOYSA-N
XLogP1.10
TPSA74.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylmorpholin-4-yl)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-[(2,2-dimethylmorpholin-4-yl)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137018666) is 3-[(2,2-dimethylmorpholin-4-yl)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-[(2,2-dimethylmorpholin-4-yl)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-[(2,2-dimethylmorpholin-4-yl)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is CC1(C)CN(Cc2cnn3c(C4CCNCC4)cc(=O)[nH]c23)CCO1.
What is the InChIKey of 3-[(2,2-dimethylmorpholin-4-yl)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is GDBNSXXZLNQWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-18(2)12-22(7-8-25-18)11-14-10-20-23-15(9-16(24)21-17(14)23)13-3-5-19-6-4-13/h9-10,13,19H,3-8,11-12H2,1-2H3,(H,21,24).
What are the key properties of 3-[(2,2-dimethylmorpholin-4-yl)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-[(2,2-dimethylmorpholin-4-yl)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 345.45 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylmorpholin-4-yl)methyl]-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137018666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).