1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-4-N-cyclopropylimidazole-4,5-dicarboxamide

C24H27ClFN5O3 — CID 122672535

IUPAC1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-4-N-cyclopropylimidazole-4,5-dicarboxamide
SMILESNC(=O)c1c(C(=O)NC2CC2)ncn1C1CCC2(CCCN(c3ccc(F)cc3Cl)C2=O)CC1
InChIInChI=1S/C24H27ClFN5O3/c25-17-12-14(26)2-5-18(17)30-11-1-8-24(23(30)34)9-6-16(7-10-24)31-13-28-19(20(31)21(27)32)22(33)29-15-3-4-15/h2,5,12-13,15-16H,1,3-4,6-11H2,(H2,27,32)(H,29,33)
InChIKeyYCPFQKAGIYXTPV-UHFFFAOYSA-N
MW487.96 g/mol
LogP3.60
Rot. Bonds5

About 1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-4-N-cyclopropylimidazole-4,5-dicarboxamide

1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-4-N-cyclopropylimidazole-4,5-dicarboxamide (PubChem CID 122672535) has the molecular formula C24H27ClFN5O3 and a molecular weight of 487.96 g/mol. Its IUPAC name is 1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-4-N-cyclopropylimidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-4-N-cyclopropylimidazole-4,5-dicarboxamide
PubChem CID122672535
Molecular FormulaC24H27ClFN5O3
Molecular Weight487.96 g/mol
Exact Mass487.18
IUPAC Name1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-4-N-cyclopropylimidazole-4,5-dicarboxamide
SMILESNC(=O)c1c(C(=O)NC2CC2)ncn1C1CCC2(CCCN(c3ccc(F)cc3Cl)C2=O)CC1
InChIInChI=1S/C24H27ClFN5O3/c25-17-12-14(26)2-5-18(17)30-11-1-8-24(23(30)34)9-6-16(7-10-24)31-13-28-19(20(31)21(27)32)22(33)29-15-3-4-15/h2,5,12-13,15-16H,1,3-4,6-11H2,(H2,27,32)(H,29,33)
InChIKeyYCPFQKAGIYXTPV-UHFFFAOYSA-N
XLogP3.60
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.96
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
5-N-[2-(2-chloro-4,5-difluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide
CID 122679396
6-chloro-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazine-2-carboxamide
CID 142335942
N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122672295
1-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide
CID 122672440
4-N-[(5R)-1-(2-chloro-4-fluorophenyl)-2-oxoazonan-5-yl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 134556634
1-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-4-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4,5-dicarboxamide
CID 122672880
1-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-4-N-[[(2R)-oxolan-2-yl]methyl]imidazole-4,5-dicarboxamide
CID 122672367
4-N-[2-(2-chloro-4,5-difluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide
CID 122679290
5-N-[2-(2-chloro-4-fluoro-5-methylphenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide
CID 122679391
1-[(1S,4S)-4-[(2-chloro-4-fluorophenyl)carbamoyl]-2,2-difluorocyclohexyl]-5-N-methylimidazole-4,5-dicarboxamide
CID 122672852

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-4-N-cyclopropylimidazole-4,5-dicarboxamide?
The IUPAC name of 1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-4-N-cyclopropylimidazole-4,5-dicarboxamide (CID 122672535) is 1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-4-N-cyclopropylimidazole-4,5-dicarboxamide.
What is the SMILES notation for 1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-4-N-cyclopropylimidazole-4,5-dicarboxamide?
The canonical SMILES for 1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-4-N-cyclopropylimidazole-4,5-dicarboxamide is NC(=O)c1c(C(=O)NC2CC2)ncn1C1CCC2(CCCN(c3ccc(F)cc3Cl)C2=O)CC1.
What is the InChIKey of 1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-4-N-cyclopropylimidazole-4,5-dicarboxamide?
The InChIKey is YCPFQKAGIYXTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClFN5O3/c25-17-12-14(26)2-5-18(17)30-11-1-8-24(23(30)34)9-6-16(7-10-24)31-13-28-19(20(31)21(27)32)22(33)29-15-3-4-15/h2,5,12-13,15-16H,1,3-4,6-11H2,(H2,27,32)(H,29,33).
What are the key properties of 1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-4-N-cyclopropylimidazole-4,5-dicarboxamide?
1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-4-N-cyclopropylimidazole-4,5-dicarboxamide has a molecular weight of 487.96 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-4-N-cyclopropylimidazole-4,5-dicarboxamide is sourced from PubChem (CID 122672535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).