1-methyl-3-[1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one

C18H23N7O — CID 126946288

About 1-methyl-3-[1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one

1-methyl-3-[1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one (PubChem CID 126946288) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-methyl-3-[1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-methyl-3-[1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
• PubChem CID: 126946288
• Molecular Formula: C18H23N7O
• Molecular Weight: 353.43 g/mol
• Exact Mass: 353.20
• IUPAC Name: 1-methyl-3-[1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
• SMILES: CN1CCN(c2cnn(C3CN(c4cc5c(nn4)CCCC5)C3)c2)C1=O
• InChI: InChI=1S/C18H23N7O/c1-22-6-7-24(18(22)26)14-9-19-25(12-14)15-10-23(11-15)17-8-13-4-2-3-5-16(13)20-21-17/h8-9,12,15H,2-7,10-11H2,1H3
• InChIKey: ZSUFNBLPDBBXSG-UHFFFAOYSA-N
• XLogP: 1.49
• TPSA: 70.39 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.43
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?

The IUPAC name of 1-methyl-3-[1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one (CID 126946288) is 1-methyl-3-[1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one.

What is the SMILES notation for 1-methyl-3-[1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?

The canonical SMILES for 1-methyl-3-[1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one is CN1CCN(c2cnn(C3CN(c4cc5c(nn4)CCCC5)C3)c2)C1=O.

What is the InChIKey of 1-methyl-3-[1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?

The InChIKey is ZSUFNBLPDBBXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-22-6-7-24(18(22)26)14-9-19-25(12-14)15-10-23(11-15)17-8-13-4-2-3-5-16(13)20-21-17/h8-9,12,15H,2-7,10-11H2,1H3.

What are the key properties of 1-methyl-3-[1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?

1-methyl-3-[1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one has a molecular weight of 353.43 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3-[1-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one is sourced from PubChem (CID 126946288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).