8-[2,6-dimethyl-3-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carbonyl]-2-methoxy-2,8-diazaspiro[4.5]decane-1,3-dione

C24H25F3N4O6 — CID 54270440

IUPAC8-[2,6-dimethyl-3-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carbonyl]-2-methoxy-2,8-diazaspiro[4.5]decane-1,3-dione
SMILESCON1C(=O)CC2(CCN(C(=O)C3=C(C)N=C(C)C([N+](=O)[O-])C3c3ccccc3C(F)(F)F)CC2)C1=O
InChIInChI=1S/C24H25F3N4O6/c1-13-18(21(33)29-10-8-23(9-11-29)12-17(32)30(37-3)22(23)34)19(20(31(35)36)14(2)28-13)15-6-4-5-7-16(15)24(25,26)27/h4-7,19-20H,8-12H2,1-3H3
InChIKeyRJSQFXPQWQSIOD-UHFFFAOYSA-N
MW522.48 g/mol
LogP3.11
Rot. Bonds4

About 8-[2,6-dimethyl-3-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carbonyl]-2-methoxy-2,8-diazaspiro[4.5]decane-1,3-dione

8-[2,6-dimethyl-3-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carbonyl]-2-methoxy-2,8-diazaspiro[4.5]decane-1,3-dione (PubChem CID 54270440) has the molecular formula C24H25F3N4O6 and a molecular weight of 522.48 g/mol. Its IUPAC name is 8-[2,6-dimethyl-3-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carbonyl]-2-methoxy-2,8-diazaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name8-[2,6-dimethyl-3-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carbonyl]-2-methoxy-2,8-diazaspiro[4.5]decane-1,3-dione
PubChem CID54270440
Molecular FormulaC24H25F3N4O6
Molecular Weight522.48 g/mol
Exact Mass522.17
IUPAC Name8-[2,6-dimethyl-3-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carbonyl]-2-methoxy-2,8-diazaspiro[4.5]decane-1,3-dione
SMILESCON1C(=O)CC2(CCN(C(=O)C3=C(C)N=C(C)C([N+](=O)[O-])C3c3ccccc3C(F)(F)F)CC2)C1=O
InChIInChI=1S/C24H25F3N4O6/c1-13-18(21(33)29-10-8-23(9-11-29)12-17(32)30(37-3)22(23)34)19(20(31(35)36)14(2)28-13)15-6-4-5-7-16(15)24(25,26)27/h4-7,19-20H,8-12H2,1-3H3
InChIKeyRJSQFXPQWQSIOD-UHFFFAOYSA-N
XLogP3.11
TPSA122.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.48
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 8-[2,6-dimethyl-3-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carbonyl]-2-methoxy-2,8-diazaspiro[4.5]decane-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-methyl-3-nitro-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxylate
CID 16680618
[[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzoyl]amino] 2,6-dimethyl-3-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carboxylate
CID 56999123
2-aminoethyl 2,6-dimethyl-4-(2-methylphenyl)-3-nitro-3,4-dihydropyridine-5-carboxylate
CID 54449181
methyl 4-(1,3-diphenylpyrazol-4-yl)-2,6-dimethyl-3-nitro-3,4-dihydropyridine-5-carboxylate
CID 123923971
propan-2-yl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 3854390
(4-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 80707552
ethyl (4S)-6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate
CID 1488610
ethyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxylate
CID 3754011
diethyl 7-(3-methoxyphenyl)-2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4a,6,7,8-tetrahydro-4H-quinoline-3,6-dicarboxylate
CID 78470821
methyl (4S)-2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1049412
methyl (7R)-5-methyl-7-[2-(trifluoromethyl)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 975906
3-propan-2-yl-8-[2-(trifluoromethyl)benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110494060

Frequently Asked Questions

What is the IUPAC name of 8-[2,6-dimethyl-3-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carbonyl]-2-methoxy-2,8-diazaspiro[4.5]decane-1,3-dione?
The IUPAC name of 8-[2,6-dimethyl-3-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carbonyl]-2-methoxy-2,8-diazaspiro[4.5]decane-1,3-dione (CID 54270440) is 8-[2,6-dimethyl-3-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carbonyl]-2-methoxy-2,8-diazaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 8-[2,6-dimethyl-3-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carbonyl]-2-methoxy-2,8-diazaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 8-[2,6-dimethyl-3-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carbonyl]-2-methoxy-2,8-diazaspiro[4.5]decane-1,3-dione is CON1C(=O)CC2(CCN(C(=O)C3=C(C)N=C(C)C([N+](=O)[O-])C3c3ccccc3C(F)(F)F)CC2)C1=O.
What is the InChIKey of 8-[2,6-dimethyl-3-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carbonyl]-2-methoxy-2,8-diazaspiro[4.5]decane-1,3-dione?
The InChIKey is RJSQFXPQWQSIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O6/c1-13-18(21(33)29-10-8-23(9-11-29)12-17(32)30(37-3)22(23)34)19(20(31(35)36)14(2)28-13)15-6-4-5-7-16(15)24(25,26)27/h4-7,19-20H,8-12H2,1-3H3.
What are the key properties of 8-[2,6-dimethyl-3-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carbonyl]-2-methoxy-2,8-diazaspiro[4.5]decane-1,3-dione?
8-[2,6-dimethyl-3-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carbonyl]-2-methoxy-2,8-diazaspiro[4.5]decane-1,3-dione has a molecular weight of 522.48 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2,6-dimethyl-3-nitro-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-5-carbonyl]-2-methoxy-2,8-diazaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 54270440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).