azetidin-1-yl-[7-[4-[2-(6-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-1-benzofuran-2-yl]methanone

C24H28N4O3 — CID 59636730

IUPACazetidin-1-yl-[7-[4-[2-(6-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-1-benzofuran-2-yl]methanone
SMILESCOc1cccc(CCN2CCN(c3cccc4cc(C(=O)N5CCC5)oc34)CC2)n1
InChIInChI=1S/C24H28N4O3/c1-30-22-8-3-6-19(25-22)9-12-26-13-15-27(16-14-26)20-7-2-5-18-17-21(31-23(18)20)24(29)28-10-4-11-28/h2-3,5-8,17H,4,9-16H2,1H3
InChIKeyCIWOESWFVHEUMU-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.05
Rot. Bonds6

About azetidin-1-yl-[7-[4-[2-(6-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-1-benzofuran-2-yl]methanone

azetidin-1-yl-[7-[4-[2-(6-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-1-benzofuran-2-yl]methanone (PubChem CID 59636730) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is azetidin-1-yl-[7-[4-[2-(6-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-1-benzofuran-2-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[7-[4-[2-(6-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-1-benzofuran-2-yl]methanone
PubChem CID59636730
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Nameazetidin-1-yl-[7-[4-[2-(6-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-1-benzofuran-2-yl]methanone
SMILESCOc1cccc(CCN2CCN(c3cccc4cc(C(=O)N5CCC5)oc34)CC2)n1
InChIInChI=1S/C24H28N4O3/c1-30-22-8-3-6-19(25-22)9-12-26-13-15-27(16-14-26)20-7-2-5-18-17-21(31-23(18)20)24(29)28-10-4-11-28/h2-3,5-8,17H,4,9-16H2,1H3
InChIKeyCIWOESWFVHEUMU-UHFFFAOYSA-N
XLogP3.05
TPSA62.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[7-[4-[2-(6-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-1-benzofuran-2-yl]methanone?
The IUPAC name of azetidin-1-yl-[7-[4-[2-(6-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-1-benzofuran-2-yl]methanone (CID 59636730) is azetidin-1-yl-[7-[4-[2-(6-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-1-benzofuran-2-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[7-[4-[2-(6-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-1-benzofuran-2-yl]methanone?
The canonical SMILES for azetidin-1-yl-[7-[4-[2-(6-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-1-benzofuran-2-yl]methanone is COc1cccc(CCN2CCN(c3cccc4cc(C(=O)N5CCC5)oc34)CC2)n1.
What is the InChIKey of azetidin-1-yl-[7-[4-[2-(6-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-1-benzofuran-2-yl]methanone?
The InChIKey is CIWOESWFVHEUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-30-22-8-3-6-19(25-22)9-12-26-13-15-27(16-14-26)20-7-2-5-18-17-21(31-23(18)20)24(29)28-10-4-11-28/h2-3,5-8,17H,4,9-16H2,1H3.
What are the key properties of azetidin-1-yl-[7-[4-[2-(6-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-1-benzofuran-2-yl]methanone?
azetidin-1-yl-[7-[4-[2-(6-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-1-benzofuran-2-yl]methanone has a molecular weight of 420.51 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[7-[4-[2-(6-methoxy-2-pyridinyl)ethyl]piperazin-1-yl]-1-benzofuran-2-yl]methanone is sourced from PubChem (CID 59636730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).