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

C18H23N7O — CID 126945933

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

1-[1-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one (PubChem CID 126945933) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-[1-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[1-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
• PubChem CID: 126945933
• Molecular Formula: C18H23N7O
• Molecular Weight: 353.43 g/mol
• Exact Mass: 353.20
• IUPAC Name: 1-[1-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
• SMILES: CC1CCc2nnc(N3CC(n4cc(N5CCNC5=O)cn4)C3)cc2C1
• InChI: InChI=1S/C18H23N7O/c1-12-2-3-16-13(6-12)7-17(22-21-16)23-9-15(10-23)25-11-14(8-20-25)24-5-4-19-18(24)26/h7-8,11-12,15H,2-6,9-10H2,1H3,(H,19,26)
• InChIKey: NWSZUGHXBTZKSH-UHFFFAOYSA-N
• XLogP: 1.39
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• 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	1.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[1-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one (CID 126945933) is 1-[1-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one.

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

The canonical SMILES for 1-[1-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one is CC1CCc2nnc(N3CC(n4cc(N5CCNC5=O)cn4)C3)cc2C1.

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

The InChIKey is NWSZUGHXBTZKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-12-2-3-16-13(6-12)7-17(22-21-16)23-9-15(10-23)25-11-14(8-20-25)24-5-4-19-18(24)26/h7-8,11-12,15H,2-6,9-10H2,1H3,(H,19,26).

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

1-[1-[1-(6-methyl-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 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one is sourced from PubChem (CID 126945933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).