ethane;1-(5-fluoro-1,6-dimethylindazol-3-yl)-1,3-diazinane-2,4-dione

C17H25FN4O2 — CID 177011148

IUPACethane;1-(5-fluoro-1,6-dimethylindazol-3-yl)-1,3-diazinane-2,4-dione
SMILESCC.CC.Cc1cc2c(cc1F)c(N1CCC(=O)NC1=O)nn2C
InChIInChI=1S/C13H13FN4O2.2C2H6/c1-7-5-10-8(6-9(7)14)12(16-17(10)2)18-4-3-11(19)15-13(18)20;2*1-2/h5-6H,3-4H2,1-2H3,(H,15,19,20);2*1-2H3
InChIKeyWQEMGVUSDOIBGH-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.52
Rot. Bonds1

About ethane;1-(5-fluoro-1,6-dimethylindazol-3-yl)-1,3-diazinane-2,4-dione

ethane;1-(5-fluoro-1,6-dimethylindazol-3-yl)-1,3-diazinane-2,4-dione (PubChem CID 177011148) has the molecular formula C17H25FN4O2 and a molecular weight of 336.41 g/mol. Its IUPAC name is ethane;1-(5-fluoro-1,6-dimethylindazol-3-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Nameethane;1-(5-fluoro-1,6-dimethylindazol-3-yl)-1,3-diazinane-2,4-dione
PubChem CID177011148
Molecular FormulaC17H25FN4O2
Molecular Weight336.41 g/mol
Exact Mass336.20
IUPAC Nameethane;1-(5-fluoro-1,6-dimethylindazol-3-yl)-1,3-diazinane-2,4-dione
SMILESCC.CC.Cc1cc2c(cc1F)c(N1CCC(=O)NC1=O)nn2C
InChIInChI=1S/C13H13FN4O2.2C2H6/c1-7-5-10-8(6-9(7)14)12(16-17(10)2)18-4-3-11(19)15-13(18)20;2*1-2/h5-6H,3-4H2,1-2H3,(H,15,19,20);2*1-2H3
InChIKeyWQEMGVUSDOIBGH-UHFFFAOYSA-N
XLogP3.52
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-fluoro-1-methyl-6-(4-propan-2-ylpiperazin-1-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 166468113
1-[5-fluoro-6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 177011283
1-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 166117692
1-[1,5-dimethyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 170931697
tert-butyl 2-[(4S)-4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-5-fluoro-1-methylindazol-6-yl]-3,3-difluoropiperidin-1-yl]acetate
CID 166169141
1-(1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione;hydrochloride
CID 164898721
tert-butyl 4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-5-fluoro-1-methylindazol-6-yl]piperidin-1-yl]methyl]piperidine-1-carboxylate
CID 172590089
1-[6-(3-hydroxypiperidin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 166471945
1-(6-bromo-1-methylpyrazolo[5,4-b]pyridin-3-yl)-1,3-diazinane-2,4-dione
CID 178164160
1-[6-(3,3-dimethyl-2,6-dihydro-1H-pyridin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 178017652
1-[6-[(1-hydroxypiperidin-4-yl)amino]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 171072865
1-[1-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 166116668

Frequently Asked Questions

What is the IUPAC name of ethane;1-(5-fluoro-1,6-dimethylindazol-3-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of ethane;1-(5-fluoro-1,6-dimethylindazol-3-yl)-1,3-diazinane-2,4-dione (CID 177011148) is ethane;1-(5-fluoro-1,6-dimethylindazol-3-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for ethane;1-(5-fluoro-1,6-dimethylindazol-3-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for ethane;1-(5-fluoro-1,6-dimethylindazol-3-yl)-1,3-diazinane-2,4-dione is CC.CC.Cc1cc2c(cc1F)c(N1CCC(=O)NC1=O)nn2C.
What is the InChIKey of ethane;1-(5-fluoro-1,6-dimethylindazol-3-yl)-1,3-diazinane-2,4-dione?
The InChIKey is WQEMGVUSDOIBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O2.2C2H6/c1-7-5-10-8(6-9(7)14)12(16-17(10)2)18-4-3-11(19)15-13(18)20;2*1-2/h5-6H,3-4H2,1-2H3,(H,15,19,20);2*1-2H3.
What are the key properties of ethane;1-(5-fluoro-1,6-dimethylindazol-3-yl)-1,3-diazinane-2,4-dione?
ethane;1-(5-fluoro-1,6-dimethylindazol-3-yl)-1,3-diazinane-2,4-dione has a molecular weight of 336.41 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(5-fluoro-1,6-dimethylindazol-3-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 177011148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).