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

C25H31ClFN5O3 — CID 122679391

IUPAC5-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
SMILESCc1cc(N2CCCC3(CCC(NC(=O)c4[nH]cnc4C(=O)NC(C)C)CC3)C2=O)c(Cl)cc1F
InChIInChI=1S/C25H31ClFN5O3/c1-14(2)30-22(33)20-21(29-13-28-20)23(34)31-16-5-8-25(9-6-16)7-4-10-32(24(25)35)19-11-15(3)18(27)12-17(19)26/h11-14,16H,4-10H2,1-3H3,(H,28,29)(H,30,33)(H,31,34)
InChIKeyLKBFQLCIQCHNRQ-UHFFFAOYSA-N
MW504.01 g/mol
LogP4.13
Rot. Bonds5

About 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

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 (PubChem CID 122679391) has the molecular formula C25H31ClFN5O3 and a molecular weight of 504.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID122679391
Molecular FormulaC25H31ClFN5O3
Molecular Weight504.01 g/mol
Exact Mass503.21
IUPAC Name5-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
SMILESCc1cc(N2CCCC3(CCC(NC(=O)c4[nH]cnc4C(=O)NC(C)C)CC3)C2=O)c(Cl)cc1F
InChIInChI=1S/C25H31ClFN5O3/c1-14(2)30-22(33)20-21(29-13-28-20)23(34)31-16-5-8-25(9-6-16)7-4-10-32(24(25)35)19-11-15(3)18(27)12-17(19)26/h11-14,16H,4-10H2,1-3H3,(H,28,29)(H,30,33)(H,31,34)
InChIKeyLKBFQLCIQCHNRQ-UHFFFAOYSA-N
XLogP4.13
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.01
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
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-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide
CID 122679177
2-(2-chloro-4-fluoro-5-methylphenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one
CID 122672633
5-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide
CID 122679344
4-N-[(5R)-1-(2-chloro-4-fluorophenyl)-2-oxoazonan-5-yl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 134556634
N-[2-(2-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-imidazole-5-carboxamide
CID 148969048
4-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-N-(2-methoxyethyl)-1H-imidazole-4,5-dicarboxamide
CID 134538538
1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-4-N-cyclopropylimidazole-4,5-dicarboxamide
CID 122672535
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
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
6-chloro-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]pyrazine-2-carboxamide
CID 142335942

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(N2CCCC3(CCC(NC(=O)c4[nH]cnc4C(=O)NC(C)C)CC3)C2=O)c(Cl)cc1F.
What is the InChIKey of 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?
The InChIKey is LKBFQLCIQCHNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClFN5O3/c1-14(2)30-22(33)20-21(29-13-28-20)23(34)31-16-5-8-25(9-6-16)7-4-10-32(24(25)35)19-11-15(3)18(27)12-17(19)26/h11-14,16H,4-10H2,1-3H3,(H,28,29)(H,30,33)(H,31,34).
What are the key properties of 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?
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 has a molecular weight of 504.01 g/mol, XLogP of 4.13, 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-fluoro-5-methylphenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 122679391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).