3-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione

C21H27FN4O2 — CID 170931692

IUPAC3-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione
SMILESCC(C)N1CCC(c2cc3c(cc2F)c(C2CCC(=O)NC2=O)nn3C)CC1
InChIInChI=1S/C21H27FN4O2/c1-12(2)26-8-6-13(7-9-26)15-11-18-16(10-17(15)22)20(24-25(18)3)14-4-5-19(27)23-21(14)28/h10-14H,4-9H2,1-3H3,(H,23,27,28)
InChIKeyWTOMNRISWZVPMX-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.82
Rot. Bonds3

About 3-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione

3-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione (PubChem CID 170931692) has the molecular formula C21H27FN4O2 and a molecular weight of 386.47 g/mol. Its IUPAC name is 3-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione
PubChem CID170931692
Molecular FormulaC21H27FN4O2
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC Name3-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione
SMILESCC(C)N1CCC(c2cc3c(cc2F)c(C2CCC(=O)NC2=O)nn3C)CC1
InChIInChI=1S/C21H27FN4O2/c1-12(2)26-8-6-13(7-9-26)15-11-18-16(10-17(15)22)20(24-25(18)3)14-4-5-19(27)23-21(14)28/h10-14H,4-9H2,1-3H3,(H,23,27,28)
InChIKeyWTOMNRISWZVPMX-UHFFFAOYSA-N
XLogP2.82
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-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

1-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 166117692
3-(6-ethynyl-5-fluoro-1-methylindazol-3-yl)piperidine-2,6-dione
CID 176508925
1-[3-(2,6-dioxopiperidin-3-yl)-5-fluoro-1-methylindazol-6-yl]piperidine-4-carbaldehyde
CID 177144627
3-(1,5-dimethyl-6-propan-2-ylindazol-3-yl)piperidine-2,6-dione
CID 178017694
3-[1-methyl-6-[1-(1-piperidin-4-ylethyl)piperidin-4-yl]indazol-3-yl]piperidine-2,6-dione
CID 170432767
3-(6-ethyl-5-hydroxy-1-methylindazol-3-yl)piperidine-2,6-dione
CID 177160916
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-5-fluoro-1-methylindazol-6-yl]piperazine-1-carboxylate
CID 170322178
3-[4-(3,3-difluoro-1-propan-2-ylpiperidin-4-yl)-2,5-difluorophenyl]piperidine-2,6-dione
CID 166472131
1-[1,5-dimethyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 170931697
3-[5-(aminomethyl)-1-methylindazol-3-yl]piperidine-2,6-dione
CID 138460739
3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride
CID 170907583
1-[5-fluoro-1-methyl-6-(4-propan-2-ylpiperazin-1-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 166468113

Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione (CID 170931692) is 3-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione is CC(C)N1CCC(c2cc3c(cc2F)c(C2CCC(=O)NC2=O)nn3C)CC1.
What is the InChIKey of 3-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione?
The InChIKey is WTOMNRISWZVPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O2/c1-12(2)26-8-6-13(7-9-26)15-11-18-16(10-17(15)22)20(24-25(18)3)14-4-5-19(27)23-21(14)28/h10-14H,4-9H2,1-3H3,(H,23,27,28).
What are the key properties of 3-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione?
3-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione has a molecular weight of 386.47 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 170931692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).