1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide;N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-(3-fluoroazetidine-1-carbonyl)-1H-imidazole-4-carboxamide

C45H49Cl2F3N10O6 — CID 122672795

About 1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide;N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-(3-fluoroazetidine-1-carbonyl)-1H-imidazole-4-carboxamide

1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide;N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-(3-fluoroazetidine-1-carbonyl)-1H-imidazole-4-carboxamide (PubChem CID 122672795) has the molecular formula C45H49Cl2F3N10O6 and a molecular weight of 953.85 g/mol. Its IUPAC name is 1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide;N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-(3-fluoroazetidine-1-carbonyl)-1H-imidazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide;N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-(3-fluoroazetidine-1-carbonyl)-1H-imidazole-4-carboxamide
• PubChem CID: 122672795
• Molecular Formula: C45H49Cl2F3N10O6
• Molecular Weight: 953.85 g/mol
• Exact Mass: 952.32
• IUPAC Name: 1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide;N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-(3-fluoroazetidine-1-carbonyl)-1H-imidazole-4-carboxamide
• SMILES: CCNC(=O)c1ncn(C2CCC3(CC2)CCN(c2ccc(F)cc2Cl)C3=O)c1C(N)=O.O=C(NC1CCC2(CC1)CCN(c1ccc(F)cc1Cl)C2=O)c1nc[nH]c1C(=O)N1CC(F)C1
• InChI: InChI=1S/C23H24ClF2N5O3.C22H25ClFN5O3/c24-16-9-13(25)1-2-17(16)31-8-7-23(22(31)34)5-3-15(4-6-23)29-20(32)18-19(28-12-27-18)21(33)30-10-14(26)11-30;1-2-26-20(31)17-18(19(25)30)29(12-27-17)14-5-7-22(8-6-14)9-10-28(21(22)32)16-4-3-13(24)11-15(16)23/h1-2,9,12,14-15H,3-8,10-11H2,(H,27,28)(H,29,32);3-4,11-12,14H,2,5-10H2,1H3,(H2,25,30)(H,26,31)
• InChIKey: JNNAWRYOGMFMGP-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 208.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	953.85
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide;N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-(3-fluoroazetidine-1-carbonyl)-1H-imidazole-4-carboxamide?

The IUPAC name of 1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide;N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-(3-fluoroazetidine-1-carbonyl)-1H-imidazole-4-carboxamide (CID 122672795) is 1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide;N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-(3-fluoroazetidine-1-carbonyl)-1H-imidazole-4-carboxamide.

What is the SMILES notation for 1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide;N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-(3-fluoroazetidine-1-carbonyl)-1H-imidazole-4-carboxamide?

The canonical SMILES for 1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide;N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-(3-fluoroazetidine-1-carbonyl)-1H-imidazole-4-carboxamide is CCNC(=O)c1ncn(C2CCC3(CC2)CCN(c2ccc(F)cc2Cl)C3=O)c1C(N)=O.O=C(NC1CCC2(CC1)CCN(c1ccc(F)cc1Cl)C2=O)c1nc[nH]c1C(=O)N1CC(F)C1.

What is the InChIKey of 1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide;N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-(3-fluoroazetidine-1-carbonyl)-1H-imidazole-4-carboxamide?

The InChIKey is JNNAWRYOGMFMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF2N5O3.C22H25ClFN5O3/c24-16-9-13(25)1-2-17(16)31-8-7-23(22(31)34)5-3-15(4-6-23)29-20(32)18-19(28-12-27-18)21(33)30-10-14(26)11-30;1-2-26-20(31)17-18(19(25)30)29(12-27-17)14-5-7-22(8-6-14)9-10-28(21(22)32)16-4-3-13(24)11-15(16)23/h1-2,9,12,14-15H,3-8,10-11H2,(H,27,28)(H,29,32);3-4,11-12,14H,2,5-10H2,1H3,(H2,25,30)(H,26,31).

What are the key properties of 1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide;N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-(3-fluoroazetidine-1-carbonyl)-1H-imidazole-4-carboxamide?

1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide;N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-(3-fluoroazetidine-1-carbonyl)-1H-imidazole-4-carboxamide has a molecular weight of 953.85 g/mol, XLogP of 6.15, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide;N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-(3-fluoroazetidine-1-carbonyl)-1H-imidazole-4-carboxamide is sourced from PubChem (CID 122672795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).