7-[[3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]azepan-2-one

C16H24N6O2 — CID 126945776

IUPAC7-[[3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]azepan-2-one
SMILESO=C1CCCCC(CN2CC(n3cc(N4CCNC4=O)cn3)C2)N1
InChIInChI=1S/C16H24N6O2/c23-15-4-2-1-3-12(19-15)8-20-9-14(10-20)22-11-13(7-18-22)21-6-5-17-16(21)24/h7,11-12,14H,1-6,8-10H2,(H,17,24)(H,19,23)
InChIKeyOAPZDKYVHHNMSX-UHFFFAOYSA-N
MW332.41 g/mol
LogP0.33
Rot. Bonds4

About 7-[[3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]azepan-2-one

7-[[3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]azepan-2-one (PubChem CID 126945776) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 7-[[3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]azepan-2-one.

Molecular Properties

Compound Name7-[[3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]azepan-2-one
PubChem CID126945776
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name7-[[3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]azepan-2-one
SMILESO=C1CCCCC(CN2CC(n3cc(N4CCNC4=O)cn3)C2)N1
InChIInChI=1S/C16H24N6O2/c23-15-4-2-1-3-12(19-15)8-20-9-14(10-20)22-11-13(7-18-22)21-6-5-17-16(21)24/h7,11-12,14H,1-6,8-10H2,(H,17,24)(H,19,23)
InChIKeyOAPZDKYVHHNMSX-UHFFFAOYSA-N
XLogP0.33
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[[3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]azepan-2-one?
The IUPAC name of 7-[[3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]azepan-2-one (CID 126945776) is 7-[[3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]azepan-2-one.
What is the SMILES notation for 7-[[3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]azepan-2-one?
The canonical SMILES for 7-[[3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]azepan-2-one is O=C1CCCCC(CN2CC(n3cc(N4CCNC4=O)cn3)C2)N1.
What is the InChIKey of 7-[[3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]azepan-2-one?
The InChIKey is OAPZDKYVHHNMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c23-15-4-2-1-3-12(19-15)8-20-9-14(10-20)22-11-13(7-18-22)21-6-5-17-16(21)24/h7,11-12,14H,1-6,8-10H2,(H,17,24)(H,19,23).
What are the key properties of 7-[[3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]azepan-2-one?
7-[[3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]azepan-2-one has a molecular weight of 332.41 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]azepan-2-one is sourced from PubChem (CID 126945776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).