3-benzyl-1-methyl-3-[2-oxo-2-(3-pyrazol-1-ylazetidin-1-yl)ethyl]indol-2-one

C24H24N4O2 — CID 56878290

IUPAC3-benzyl-1-methyl-3-[2-oxo-2-(3-pyrazol-1-ylazetidin-1-yl)ethyl]indol-2-one
SMILESCN1C(=O)C(CC(=O)N2CC(n3cccn3)C2)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C24H24N4O2/c1-26-21-11-6-5-10-20(21)24(23(26)30,14-18-8-3-2-4-9-18)15-22(29)27-16-19(17-27)28-13-7-12-25-28/h2-13,19H,14-17H2,1H3
InChIKeyHMWSSHAAQLNXBE-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.81
Rot. Bonds5

About 3-benzyl-1-methyl-3-[2-oxo-2-(3-pyrazol-1-ylazetidin-1-yl)ethyl]indol-2-one

3-benzyl-1-methyl-3-[2-oxo-2-(3-pyrazol-1-ylazetidin-1-yl)ethyl]indol-2-one (PubChem CID 56878290) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3-benzyl-1-methyl-3-[2-oxo-2-(3-pyrazol-1-ylazetidin-1-yl)ethyl]indol-2-one.

Molecular Properties

Compound Name3-benzyl-1-methyl-3-[2-oxo-2-(3-pyrazol-1-ylazetidin-1-yl)ethyl]indol-2-one
PubChem CID56878290
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name3-benzyl-1-methyl-3-[2-oxo-2-(3-pyrazol-1-ylazetidin-1-yl)ethyl]indol-2-one
SMILESCN1C(=O)C(CC(=O)N2CC(n3cccn3)C2)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C24H24N4O2/c1-26-21-11-6-5-10-20(21)24(23(26)30,14-18-8-3-2-4-9-18)15-22(29)27-16-19(17-27)28-13-7-12-25-28/h2-13,19H,14-17H2,1H3
InChIKeyHMWSSHAAQLNXBE-UHFFFAOYSA-N
XLogP2.81
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-methyl-3-[2-oxo-2-(3-pyrazol-1-ylazetidin-1-yl)ethyl]indol-2-one?
The IUPAC name of 3-benzyl-1-methyl-3-[2-oxo-2-(3-pyrazol-1-ylazetidin-1-yl)ethyl]indol-2-one (CID 56878290) is 3-benzyl-1-methyl-3-[2-oxo-2-(3-pyrazol-1-ylazetidin-1-yl)ethyl]indol-2-one.
What is the SMILES notation for 3-benzyl-1-methyl-3-[2-oxo-2-(3-pyrazol-1-ylazetidin-1-yl)ethyl]indol-2-one?
The canonical SMILES for 3-benzyl-1-methyl-3-[2-oxo-2-(3-pyrazol-1-ylazetidin-1-yl)ethyl]indol-2-one is CN1C(=O)C(CC(=O)N2CC(n3cccn3)C2)(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 3-benzyl-1-methyl-3-[2-oxo-2-(3-pyrazol-1-ylazetidin-1-yl)ethyl]indol-2-one?
The InChIKey is HMWSSHAAQLNXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-26-21-11-6-5-10-20(21)24(23(26)30,14-18-8-3-2-4-9-18)15-22(29)27-16-19(17-27)28-13-7-12-25-28/h2-13,19H,14-17H2,1H3.
What are the key properties of 3-benzyl-1-methyl-3-[2-oxo-2-(3-pyrazol-1-ylazetidin-1-yl)ethyl]indol-2-one?
3-benzyl-1-methyl-3-[2-oxo-2-(3-pyrazol-1-ylazetidin-1-yl)ethyl]indol-2-one has a molecular weight of 400.48 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-methyl-3-[2-oxo-2-(3-pyrazol-1-ylazetidin-1-yl)ethyl]indol-2-one is sourced from PubChem (CID 56878290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).