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'}

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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).