5-[[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C16H18N6O2 — CID 98190913

IUPAC5-[[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CN2CCC[C@@H]2c2noc(C3CC3)n2)nc2cc[nH]n12
InChIInChI=1S/C16H18N6O2/c23-14-8-11(18-13-5-6-17-22(13)14)9-21-7-1-2-12(21)15-19-16(24-20-15)10-3-4-10/h5-6,8,10,12,17H,1-4,7,9H2/t12-/m1/s1
InChIKeyPWOPYHHCYSHVHU-GFCCVEGCSA-N
MW326.36 g/mol
LogP1.62
Rot. Bonds4

About 5-[[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 98190913) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-[[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID98190913
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name5-[[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CN2CCC[C@@H]2c2noc(C3CC3)n2)nc2cc[nH]n12
InChIInChI=1S/C16H18N6O2/c23-14-8-11(18-13-5-6-17-22(13)14)9-21-7-1-2-12(21)15-19-16(24-20-15)10-3-4-10/h5-6,8,10,12,17H,1-4,7,9H2/t12-/m1/s1
InChIKeyPWOPYHHCYSHVHU-GFCCVEGCSA-N
XLogP1.62
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

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Related Compounds

3-[[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
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CID 71928467
5-[[(3S)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 95762037
5-cyclopropyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 154749204
5-cyclopropyl-3-[(2S)-1-(3-methoxypropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 96999620
5-cyclopropyl-3-[(2R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95780252
5-cyclopropyl-3-[(2R)-1-[2-(cyclopropylmethoxy)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 97005237
5-[[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98775409
2-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 129461982
[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1S)-2,3-dihydro-1H-inden-1-yl]methanone
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1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 166406186
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CID 97013190

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 98190913) is 5-[[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(CN2CCC[C@@H]2c2noc(C3CC3)n2)nc2cc[nH]n12.
What is the InChIKey of 5-[[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is PWOPYHHCYSHVHU-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18N6O2/c23-14-8-11(18-13-5-6-17-22(13)14)9-21-7-1-2-12(21)15-19-16(24-20-15)10-3-4-10/h5-6,8,10,12,17H,1-4,7,9H2/t12-/m1/s1.
What are the key properties of 5-[[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 326.36 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 98190913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).