(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

C16H18N6O2 — CID 129352492

IUPAC(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1noc([C@H]2CCN(C(=O)c3c(C)nc4ccnn4c3C)C2)n1
InChIInChI=1S/C16H18N6O2/c1-9-14(10(2)22-13(18-9)4-6-17-22)16(23)21-7-5-12(8-21)15-19-11(3)20-24-15/h4,6,12H,5,7-8H2,1-3H3/t12-/m0/s1
InChIKeyMIYLMXVDESFPSK-LBPRGKRZSA-N
MW326.36 g/mol
LogP1.67
Rot. Bonds2

About (5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 129352492) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is (5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID129352492
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1noc([C@H]2CCN(C(=O)c3c(C)nc4ccnn4c3C)C2)n1
InChIInChI=1S/C16H18N6O2/c1-9-14(10(2)22-13(18-9)4-6-17-22)16(23)21-7-5-12(8-21)15-19-11(3)20-24-15/h4,6,12H,5,7-8H2,1-3H3/t12-/m0/s1
InChIKeyMIYLMXVDESFPSK-LBPRGKRZSA-N
XLogP1.67
TPSA89.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-methyl-1H-imidazol-2-yl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 125172460
(3,4-dimethylphenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129348913
(2,3-dimethylphenyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 128988584
[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 128990313
(3,3-dimethylazetidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 166234711
(1-benzyl-3,5-dimethylpyrazol-4-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 55885180
[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 118780101
(2-chloro-4,5-dimethylphenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129491670
(4-bromo-5-methylthiophen-2-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 136548803
[2-(methoxymethyl)phenyl]-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129346773
[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 129346774
[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 128988519

Frequently Asked Questions

What is the IUPAC name of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (CID 129352492) is (5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is Cc1noc([C@H]2CCN(C(=O)c3c(C)nc4ccnn4c3C)C2)n1.
What is the InChIKey of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is MIYLMXVDESFPSK-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-9-14(10(2)22-13(18-9)4-6-17-22)16(23)21-7-5-12(8-21)15-19-11(3)20-24-15/h4,6,12H,5,7-8H2,1-3H3/t12-/m0/s1.
What are the key properties of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 326.36 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129352492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).