5,7-dimethyl-6-[2-oxo-2-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one

C18H21N5O2 — CID 95282086

IUPAC5,7-dimethyl-6-[2-oxo-2-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCC[C@H]1c1ccc[nH]1
InChIInChI=1S/C18H21N5O2/c1-11-13(12(2)23-16(20-11)10-17(24)21-23)9-18(25)22-8-4-6-15(22)14-5-3-7-19-14/h3,5,7,10,15,19H,4,6,8-9H2,1-2H3,(H,21,24)/t15-/m0/s1
InChIKeyAURYUUWFNRJZHK-HNNXBMFYSA-N
MW339.40 g/mol
LogP1.87
Rot. Bonds3

About 5,7-dimethyl-6-[2-oxo-2-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one

5,7-dimethyl-6-[2-oxo-2-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one (PubChem CID 95282086) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 5,7-dimethyl-6-[2-oxo-2-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one.

Molecular Properties

Compound Name5,7-dimethyl-6-[2-oxo-2-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one
PubChem CID95282086
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name5,7-dimethyl-6-[2-oxo-2-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCC[C@H]1c1ccc[nH]1
InChIInChI=1S/C18H21N5O2/c1-11-13(12(2)23-16(20-11)10-17(24)21-23)9-18(25)22-8-4-6-15(22)14-5-3-7-19-14/h3,5,7,10,15,19H,4,6,8-9H2,1-2H3,(H,21,24)/t15-/m0/s1
InChIKeyAURYUUWFNRJZHK-HNNXBMFYSA-N
XLogP1.87
TPSA86.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-[2-oxo-2-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The IUPAC name of 5,7-dimethyl-6-[2-oxo-2-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one (CID 95282086) is 5,7-dimethyl-6-[2-oxo-2-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one.
What is the SMILES notation for 5,7-dimethyl-6-[2-oxo-2-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The canonical SMILES for 5,7-dimethyl-6-[2-oxo-2-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one is Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CCC[C@H]1c1ccc[nH]1.
What is the InChIKey of 5,7-dimethyl-6-[2-oxo-2-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The InChIKey is AURYUUWFNRJZHK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-11-13(12(2)23-16(20-11)10-17(24)21-23)9-18(25)22-8-4-6-15(22)14-5-3-7-19-14/h3,5,7,10,15,19H,4,6,8-9H2,1-2H3,(H,21,24)/t15-/m0/s1.
What are the key properties of 5,7-dimethyl-6-[2-oxo-2-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one?
5,7-dimethyl-6-[2-oxo-2-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one has a molecular weight of 339.40 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-6-[2-oxo-2-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one is sourced from PubChem (CID 95282086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).