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

C20H26FN5O2 — CID 166117692

IUPAC1-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
SMILESCC(C)N1CCC(c2cc3c(cc2F)c(N2CCC(=O)NC2=O)nn3C)CC1
InChIInChI=1S/C20H26FN5O2/c1-12(2)25-7-4-13(5-8-25)14-11-17-15(10-16(14)21)19(23-24(17)3)26-9-6-18(27)22-20(26)28/h10-13H,4-9H2,1-3H3,(H,22,27,28)
InChIKeyRLIFJBPQKQQOFW-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.75
Rot. Bonds3

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

1-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 166117692) has the molecular formula C20H26FN5O2 and a molecular weight of 387.46 g/mol. Its IUPAC name is 1-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
PubChem CID166117692
Molecular FormulaC20H26FN5O2
Molecular Weight387.46 g/mol
Exact Mass387.21
IUPAC Name1-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
SMILESCC(C)N1CCC(c2cc3c(cc2F)c(N2CCC(=O)NC2=O)nn3C)CC1
InChIInChI=1S/C20H26FN5O2/c1-12(2)25-7-4-13(5-8-25)14-11-17-15(10-16(14)21)19(23-24(17)3)26-9-6-18(27)22-20(26)28/h10-13H,4-9H2,1-3H3,(H,22,27,28)
InChIKeyRLIFJBPQKQQOFW-UHFFFAOYSA-N
XLogP2.75
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1,5-dimethyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 170931697
1-[5-fluoro-1-methyl-6-(4-propan-2-ylpiperazin-1-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 166468113
methoxymethane;1-[1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 166116682
3-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]piperidine-2,6-dione
CID 170931692
1-[1-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 166116668
ethane;1-(5-fluoro-1,6-dimethylindazol-3-yl)-1,3-diazinane-2,4-dione
CID 177011148
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-[5-fluoro-6-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 177011283
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-[[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]amino]indazol-3-yl]-1,3-diazinane-2,4-dione
CID 170586532
1-[6-[1-[[3-[4-[[5-(difluoromethoxy)pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylphenyl]methyl]piperidin-4-yl]-5-fluoro-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 171565595
1-[5-fluoro-1-methyl-6-[(3R)-3-(4-oxo-3H-quinazolin-8-yl)-1-oxaspiro[4.5]decan-4-yl]indazol-3-yl]-1,3-diazinane-2,4-dione
CID 171485531

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione (CID 166117692) is 1-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione is CC(C)N1CCC(c2cc3c(cc2F)c(N2CCC(=O)NC2=O)nn3C)CC1.
What is the InChIKey of 1-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is RLIFJBPQKQQOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O2/c1-12(2)25-7-4-13(5-8-25)14-11-17-15(10-16(14)21)19(23-24(17)3)26-9-6-18(27)22-20(26)28/h10-13H,4-9H2,1-3H3,(H,22,27,28).
What are the key properties of 1-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione?
1-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 387.46 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 166117692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).