3-[6-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one

C23H30N4O3 — CID 154579685

About 3-[6-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one

3-[6-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 154579685) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 3-[6-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

• Compound Name: 3-[6-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
• PubChem CID: 154579685
• Molecular Formula: C23H30N4O3
• Molecular Weight: 410.52 g/mol
• Exact Mass: 410.23
• IUPAC Name: 3-[6-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
• SMILES: O=C(CCC1CN(C(=O)c2ccc(Cn3ccnc3)o2)CC12CCC2)N1CCCC1
• InChI: InChI=1S/C23H30N4O3/c28-21(26-11-1-2-12-26)7-4-18-14-27(16-23(18)8-3-9-23)22(29)20-6-5-19(30-20)15-25-13-10-24-17-25/h5-6,10,13,17-18H,1-4,7-9,11-12,14-16H2
• InChIKey: NKJDNMMVDKWWKH-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 71.58 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.52
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[6-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one?

The IUPAC name of 3-[6-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 154579685) is 3-[6-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one.

What is the SMILES notation for 3-[6-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one?

The canonical SMILES for 3-[6-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one is O=C(CCC1CN(C(=O)c2ccc(Cn3ccnc3)o2)CC12CCC2)N1CCCC1.

What is the InChIKey of 3-[6-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one?

The InChIKey is NKJDNMMVDKWWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c28-21(26-11-1-2-12-26)7-4-18-14-27(16-23(18)8-3-9-23)22(29)20-6-5-19(30-20)15-25-13-10-24-17-25/h5-6,10,13,17-18H,1-4,7-9,11-12,14-16H2.

What are the key properties of 3-[6-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one?

3-[6-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 410.52 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 154579685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).