5-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide

C23H25ClFN5O3 — CID 122679177

IUPAC5-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide
SMILESO=C(NC1CC1)c1nc[nH]c1C(=O)NC1CCC2(CC1)CCN(c1ccc(F)cc1Cl)C2=O
InChIInChI=1S/C23H25ClFN5O3/c24-16-11-13(25)1-4-17(16)30-10-9-23(22(30)33)7-5-15(6-8-23)29-21(32)19-18(26-12-27-19)20(31)28-14-2-3-14/h1,4,11-12,14-15H,2-3,5-10H2,(H,26,27)(H,28,31)(H,29,32)
InChIKeyULNQAKUOAJFPLB-UHFFFAOYSA-N
MW473.94 g/mol
LogP3.19
Rot. Bonds5

About 5-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide

5-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide (PubChem CID 122679177) has the molecular formula C23H25ClFN5O3 and a molecular weight of 473.94 g/mol. Its IUPAC name is 5-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide
PubChem CID122679177
Molecular FormulaC23H25ClFN5O3
Molecular Weight473.94 g/mol
Exact Mass473.16
IUPAC Name5-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide
SMILESO=C(NC1CC1)c1nc[nH]c1C(=O)NC1CCC2(CC1)CCN(c1ccc(F)cc1Cl)C2=O
InChIInChI=1S/C23H25ClFN5O3/c24-16-11-13(25)1-4-17(16)30-10-9-23(22(30)33)7-5-15(6-8-23)29-21(32)19-18(26-12-27-19)20(31)28-14-2-3-14/h1,4,11-12,14-15H,2-3,5-10H2,(H,26,27)(H,28,31)(H,29,32)
InChIKeyULNQAKUOAJFPLB-UHFFFAOYSA-N
XLogP3.19
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.94
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide (CID 122679177) is 5-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide is O=C(NC1CC1)c1nc[nH]c1C(=O)NC1CCC2(CC1)CCN(c1ccc(F)cc1Cl)C2=O.
What is the InChIKey of 5-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide?
The InChIKey is ULNQAKUOAJFPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN5O3/c24-16-11-13(25)1-4-17(16)30-10-9-23(22(30)33)7-5-15(6-8-23)29-21(32)19-18(26-12-27-19)20(31)28-14-2-3-14/h1,4,11-12,14-15H,2-3,5-10H2,(H,26,27)(H,28,31)(H,29,32).
What are the key properties of 5-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide?
5-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide has a molecular weight of 473.94 g/mol, XLogP of 3.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 122679177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).