(2S)-4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine

C16H21N7O2 — CID 97195566

IUPAC(2S)-4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine
SMILESCCc1nc(C[C@H]2CN(c3nc(C)nc4c3cnn4C)CCO2)no1
InChIInChI=1S/C16H21N7O2/c1-4-14-20-13(21-25-14)7-11-9-23(5-6-24-11)16-12-8-17-22(3)15(12)18-10(2)19-16/h8,11H,4-7,9H2,1-3H3/t11-/m0/s1
InChIKeyZLLUOXZXFXUNFJ-NSHDSACASA-N
MW343.39 g/mol
LogP1.07
Rot. Bonds4

About (2S)-4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine

(2S)-4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine (PubChem CID 97195566) has the molecular formula C16H21N7O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is (2S)-4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine
PubChem CID97195566
Molecular FormulaC16H21N7O2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Name(2S)-4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine
SMILESCCc1nc(C[C@H]2CN(c3nc(C)nc4c3cnn4C)CCO2)no1
InChIInChI=1S/C16H21N7O2/c1-4-14-20-13(21-25-14)7-11-9-23(5-6-24-11)16-12-8-17-22(3)15(12)18-10(2)19-16/h8,11H,4-7,9H2,1-3H3/t11-/m0/s1
InChIKeyZLLUOXZXFXUNFJ-NSHDSACASA-N
XLogP1.07
TPSA94.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine?
The IUPAC name of (2S)-4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine (CID 97195566) is (2S)-4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine.
What is the SMILES notation for (2S)-4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine?
The canonical SMILES for (2S)-4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine is CCc1nc(C[C@H]2CN(c3nc(C)nc4c3cnn4C)CCO2)no1.
What is the InChIKey of (2S)-4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine?
The InChIKey is ZLLUOXZXFXUNFJ-NSHDSACASA-N. The full InChI is InChI=1S/C16H21N7O2/c1-4-14-20-13(21-25-14)7-11-9-23(5-6-24-11)16-12-8-17-22(3)15(12)18-10(2)19-16/h8,11H,4-7,9H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine?
(2S)-4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine has a molecular weight of 343.39 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine is sourced from PubChem (CID 97195566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).