4-[1-(5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]-1-methylpiperazin-2-one

C15H19ClN6O — CID 167974438

IUPAC4-[1-(5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]-1-methylpiperazin-2-one
SMILESCc1cnn2c(N3CC(N4CCN(C)C(=O)C4)C3)cc(Cl)nc12
InChIInChI=1S/C15H19ClN6O/c1-10-6-17-22-13(5-12(16)18-15(10)22)21-7-11(8-21)20-4-3-19(2)14(23)9-20/h5-6,11H,3-4,7-9H2,1-2H3
InChIKeyJSRVAKZUTLHQTM-UHFFFAOYSA-N
MW334.81 g/mol
LogP0.65
Rot. Bonds2

About 4-[1-(5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]-1-methylpiperazin-2-one

4-[1-(5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]-1-methylpiperazin-2-one (PubChem CID 167974438) has the molecular formula C15H19ClN6O and a molecular weight of 334.81 g/mol. Its IUPAC name is 4-[1-(5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[1-(5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]-1-methylpiperazin-2-one
PubChem CID167974438
Molecular FormulaC15H19ClN6O
Molecular Weight334.81 g/mol
Exact Mass334.13
IUPAC Name4-[1-(5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]-1-methylpiperazin-2-one
SMILESCc1cnn2c(N3CC(N4CCN(C)C(=O)C4)C3)cc(Cl)nc12
InChIInChI=1S/C15H19ClN6O/c1-10-6-17-22-13(5-12(16)18-15(10)22)21-7-11(8-21)20-4-3-19(2)14(23)9-20/h5-6,11H,3-4,7-9H2,1-2H3
InChIKeyJSRVAKZUTLHQTM-UHFFFAOYSA-N
XLogP0.65
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[1-(5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]-1-methylpiperazin-2-one (CID 167974438) is 4-[1-(5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[1-(5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[1-(5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]-1-methylpiperazin-2-one is Cc1cnn2c(N3CC(N4CCN(C)C(=O)C4)C3)cc(Cl)nc12.
What is the InChIKey of 4-[1-(5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]-1-methylpiperazin-2-one?
The InChIKey is JSRVAKZUTLHQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6O/c1-10-6-17-22-13(5-12(16)18-15(10)22)21-7-11(8-21)20-4-3-19(2)14(23)9-20/h5-6,11H,3-4,7-9H2,1-2H3.
What are the key properties of 4-[1-(5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]-1-methylpiperazin-2-one?
4-[1-(5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]-1-methylpiperazin-2-one has a molecular weight of 334.81 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]-1-methylpiperazin-2-one is sourced from PubChem (CID 167974438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).