3-(5-fluoro-3-methyl-4-propan-2-ylindazol-1-yl)iodanuidylpiperidine-2,6-dione

C16H18FIN3O2- — CID 176933551

IUPAC3-(5-fluoro-3-methyl-4-propan-2-ylindazol-1-yl)iodanuidylpiperidine-2,6-dione
SMILESCc1nn([I-]C2CCC(=O)NC2=O)c2ccc(F)c(C(C)C)c12
InChIInChI=1S/C16H18FIN3O2/c1-8(2)14-10(17)4-6-12-15(14)9(3)20-21(12)18-11-5-7-13(22)19-16(11)23/h4,6,8,11H,5,7H2,1-3H3,(H,19,22,23)/q-1
InChIKeyACQYQFNVPOUOPO-UHFFFAOYSA-N
MW430.24 g/mol
LogP-0.74
Rot. Bonds3

About 3-(5-fluoro-3-methyl-4-propan-2-ylindazol-1-yl)iodanuidylpiperidine-2,6-dione

3-(5-fluoro-3-methyl-4-propan-2-ylindazol-1-yl)iodanuidylpiperidine-2,6-dione (PubChem CID 176933551) has the molecular formula C16H18FIN3O2- and a molecular weight of 430.24 g/mol. Its IUPAC name is 3-(5-fluoro-3-methyl-4-propan-2-ylindazol-1-yl)iodanuidylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(5-fluoro-3-methyl-4-propan-2-ylindazol-1-yl)iodanuidylpiperidine-2,6-dione
PubChem CID176933551
Molecular FormulaC16H18FIN3O2-
Molecular Weight430.24 g/mol
Exact Mass430.04
IUPAC Name3-(5-fluoro-3-methyl-4-propan-2-ylindazol-1-yl)iodanuidylpiperidine-2,6-dione
SMILESCc1nn([I-]C2CCC(=O)NC2=O)c2ccc(F)c(C(C)C)c12
InChIInChI=1S/C16H18FIN3O2/c1-8(2)14-10(17)4-6-12-15(14)9(3)20-21(12)18-11-5-7-13(22)19-16(11)23/h4,6,8,11H,5,7H2,1-3H3,(H,19,22,23)/q-1
InChIKeyACQYQFNVPOUOPO-UHFFFAOYSA-N
XLogP-0.74
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.24
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-3-methyl-1,4-di(propan-2-yl)indazole
CID 176932144
3-(4-ethyl-5-fluoro-3-methylindazol-1-yl)piperidine-2,6-dione
CID 176931807
3-(4-fluoro-3-methyl-5-propan-2-ylindol-1-yl)piperidine-2,6-dione
CID 170953295
3-(4-bromo-3-methylindazol-1-yl)piperidine-2,6-dione
CID 164596403
2-(2,6-dioxopiperidin-3-yl)-4-fluoro-7-methylisoindole-1,3-dione
CID 131999738
3-(1,5-dimethyl-6-propan-2-ylindazol-3-yl)piperidine-2,6-dione
CID 178017694
3-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione
CID 170931692
2-[(3R)-2,6-dioxopiperidin-3-yl]-5-fluoro-6-propan-2-ylisoindole-1,3-dione
CID 167278640
3-(2-fluoro-3-propan-2-ylphenyl)piperidine-2,6-dione
CID 170184885
ethane;3-(3-fluoro-4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749603
3-(4-fluoro-7-methylsulfonyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342570
1-[3-(2,6-dioxopiperidin-3-yl)-5-fluoro-1-methylindazol-6-yl]piperidine-4-carbaldehyde
CID 177144627

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-3-methyl-4-propan-2-ylindazol-1-yl)iodanuidylpiperidine-2,6-dione?
The IUPAC name of 3-(5-fluoro-3-methyl-4-propan-2-ylindazol-1-yl)iodanuidylpiperidine-2,6-dione (CID 176933551) is 3-(5-fluoro-3-methyl-4-propan-2-ylindazol-1-yl)iodanuidylpiperidine-2,6-dione.
What is the SMILES notation for 3-(5-fluoro-3-methyl-4-propan-2-ylindazol-1-yl)iodanuidylpiperidine-2,6-dione?
The canonical SMILES for 3-(5-fluoro-3-methyl-4-propan-2-ylindazol-1-yl)iodanuidylpiperidine-2,6-dione is Cc1nn([I-]C2CCC(=O)NC2=O)c2ccc(F)c(C(C)C)c12.
What is the InChIKey of 3-(5-fluoro-3-methyl-4-propan-2-ylindazol-1-yl)iodanuidylpiperidine-2,6-dione?
The InChIKey is ACQYQFNVPOUOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FIN3O2/c1-8(2)14-10(17)4-6-12-15(14)9(3)20-21(12)18-11-5-7-13(22)19-16(11)23/h4,6,8,11H,5,7H2,1-3H3,(H,19,22,23)/q-1.
What are the key properties of 3-(5-fluoro-3-methyl-4-propan-2-ylindazol-1-yl)iodanuidylpiperidine-2,6-dione?
3-(5-fluoro-3-methyl-4-propan-2-ylindazol-1-yl)iodanuidylpiperidine-2,6-dione has a molecular weight of 430.24 g/mol, XLogP of -0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-3-methyl-4-propan-2-ylindazol-1-yl)iodanuidylpiperidine-2,6-dione is sourced from PubChem (CID 176933551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).