6-[2-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H24N4O4 — CID 129351156

IUPAC6-[2-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOC[C@@H]1CN(C(=O)Cc2c(C)nc3cc[nH]n3c2=O)CC(C)(C)O1
InChIInChI=1S/C17H24N4O4/c1-11-13(16(23)21-14(19-11)5-6-18-21)7-15(22)20-8-12(9-24-4)25-17(2,3)10-20/h5-6,12,18H,7-10H2,1-4H3/t12-/m0/s1
InChIKeyVYLHMYUEOBEPGV-LBPRGKRZSA-N
MW348.40 g/mol
LogP0.53
Rot. Bonds4

About 6-[2-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-[2-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 129351156) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 6-[2-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[2-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID129351156
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name6-[2-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOC[C@@H]1CN(C(=O)Cc2c(C)nc3cc[nH]n3c2=O)CC(C)(C)O1
InChIInChI=1S/C17H24N4O4/c1-11-13(16(23)21-14(19-11)5-6-18-21)7-15(22)20-8-12(9-24-4)25-17(2,3)10-20/h5-6,12,18H,7-10H2,1-4H3/t12-/m0/s1
InChIKeyVYLHMYUEOBEPGV-LBPRGKRZSA-N
XLogP0.53
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-[2-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 129351156) is 6-[2-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-[2-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[2-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COC[C@@H]1CN(C(=O)Cc2c(C)nc3cc[nH]n3c2=O)CC(C)(C)O1.
What is the InChIKey of 6-[2-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VYLHMYUEOBEPGV-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-11-13(16(23)21-14(19-11)5-6-18-21)7-15(22)20-8-12(9-24-4)25-17(2,3)10-20/h5-6,12,18H,7-10H2,1-4H3/t12-/m0/s1.
What are the key properties of 6-[2-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-[2-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 348.40 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 129351156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).