3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[(1S,2S)-2-(1H-imidazol-5-yl)cyclopropyl]-1,2,4-oxadiazole

C16H15N7O — CID 164640907

IUPAC3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[(1S,2S)-2-(1H-imidazol-5-yl)cyclopropyl]-1,2,4-oxadiazole
SMILESCc1cc(C)n2ncc(-c3noc([C@H]4C[C@@H]4c4cnc[nH]4)n3)c2n1
InChIInChI=1S/C16H15N7O/c1-8-3-9(2)23-15(20-8)12(5-19-23)14-21-16(24-22-14)11-4-10(11)13-6-17-7-18-13/h3,5-7,10-11H,4H2,1-2H3,(H,17,18)/t10-,11-/m0/s1
InChIKeyUYZQDUGJGXJUTQ-QWRGUYRKSA-N
MW321.34 g/mol
LogP2.39
Rot. Bonds3

About 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[(1S,2S)-2-(1H-imidazol-5-yl)cyclopropyl]-1,2,4-oxadiazole

3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[(1S,2S)-2-(1H-imidazol-5-yl)cyclopropyl]-1,2,4-oxadiazole (PubChem CID 164640907) has the molecular formula C16H15N7O and a molecular weight of 321.34 g/mol. Its IUPAC name is 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[(1S,2S)-2-(1H-imidazol-5-yl)cyclopropyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[(1S,2S)-2-(1H-imidazol-5-yl)cyclopropyl]-1,2,4-oxadiazole
PubChem CID164640907
Molecular FormulaC16H15N7O
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC Name3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[(1S,2S)-2-(1H-imidazol-5-yl)cyclopropyl]-1,2,4-oxadiazole
SMILESCc1cc(C)n2ncc(-c3noc([C@H]4C[C@@H]4c4cnc[nH]4)n3)c2n1
InChIInChI=1S/C16H15N7O/c1-8-3-9(2)23-15(20-8)12(5-19-23)14-21-16(24-22-14)11-4-10(11)13-6-17-7-18-13/h3,5-7,10-11H,4H2,1-2H3,(H,17,18)/t10-,11-/m0/s1
InChIKeyUYZQDUGJGXJUTQ-QWRGUYRKSA-N
XLogP2.39
TPSA97.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[(1S,2S)-2-(1H-imidazol-5-yl)cyclopropyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[(1S,2S)-2-(1H-imidazol-5-yl)cyclopropyl]-1,2,4-oxadiazole (CID 164640907) is 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[(1S,2S)-2-(1H-imidazol-5-yl)cyclopropyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[(1S,2S)-2-(1H-imidazol-5-yl)cyclopropyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[(1S,2S)-2-(1H-imidazol-5-yl)cyclopropyl]-1,2,4-oxadiazole is Cc1cc(C)n2ncc(-c3noc([C@H]4C[C@@H]4c4cnc[nH]4)n3)c2n1.
What is the InChIKey of 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[(1S,2S)-2-(1H-imidazol-5-yl)cyclopropyl]-1,2,4-oxadiazole?
The InChIKey is UYZQDUGJGXJUTQ-QWRGUYRKSA-N. The full InChI is InChI=1S/C16H15N7O/c1-8-3-9(2)23-15(20-8)12(5-19-23)14-21-16(24-22-14)11-4-10(11)13-6-17-7-18-13/h3,5-7,10-11H,4H2,1-2H3,(H,17,18)/t10-,11-/m0/s1.
What are the key properties of 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[(1S,2S)-2-(1H-imidazol-5-yl)cyclopropyl]-1,2,4-oxadiazole?
3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[(1S,2S)-2-(1H-imidazol-5-yl)cyclopropyl]-1,2,4-oxadiazole has a molecular weight of 321.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[(1S,2S)-2-(1H-imidazol-5-yl)cyclopropyl]-1,2,4-oxadiazole is sourced from PubChem (CID 164640907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).