6-[(3S)-3-benzylmorpholin-4-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C17H19N5O2 — CID 137195965

IUPAC6-[(3S)-3-benzylmorpholin-4-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(N3CCOC[C@@H]3Cc3ccccc3)nc21
InChIInChI=1S/C17H19N5O2/c1-21-15-14(10-18-21)16(23)20-17(19-15)22-7-8-24-11-13(22)9-12-5-3-2-4-6-12/h2-6,10,13H,7-9,11H2,1H3,(H,19,20,23)/t13-/m0/s1
InChIKeyBNSGIBZKSNDRNL-ZDUSSCGKSA-N
MW325.37 g/mol
LogP1.10
Rot. Bonds3

About 6-[(3S)-3-benzylmorpholin-4-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[(3S)-3-benzylmorpholin-4-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137195965) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 6-[(3S)-3-benzylmorpholin-4-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(3S)-3-benzylmorpholin-4-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137195965
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name6-[(3S)-3-benzylmorpholin-4-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(N3CCOC[C@@H]3Cc3ccccc3)nc21
InChIInChI=1S/C17H19N5O2/c1-21-15-14(10-18-21)16(23)20-17(19-15)22-7-8-24-11-13(22)9-12-5-3-2-4-6-12/h2-6,10,13H,7-9,11H2,1H3,(H,19,20,23)/t13-/m0/s1
InChIKeyBNSGIBZKSNDRNL-ZDUSSCGKSA-N
XLogP1.10
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-benzylmorpholin-4-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(3S)-3-benzylmorpholin-4-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137195965) is 6-[(3S)-3-benzylmorpholin-4-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(3S)-3-benzylmorpholin-4-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(3S)-3-benzylmorpholin-4-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)[nH]c(N3CCOC[C@@H]3Cc3ccccc3)nc21.
What is the InChIKey of 6-[(3S)-3-benzylmorpholin-4-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is BNSGIBZKSNDRNL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-21-15-14(10-18-21)16(23)20-17(19-15)22-7-8-24-11-13(22)9-12-5-3-2-4-6-12/h2-6,10,13H,7-9,11H2,1H3,(H,19,20,23)/t13-/m0/s1.
What are the key properties of 6-[(3S)-3-benzylmorpholin-4-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[(3S)-3-benzylmorpholin-4-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 325.37 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-benzylmorpholin-4-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137195965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).