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

C19H25FN6O2 — CID 166468113

IUPAC1-[5-fluoro-1-methyl-6-(4-propan-2-ylpiperazin-1-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
SMILESCC(C)N1CCN(c2cc3c(cc2F)c(N2CCC(=O)NC2=O)nn3C)CC1
InChIInChI=1S/C19H25FN6O2/c1-12(2)24-6-8-25(9-7-24)16-11-15-13(10-14(16)20)18(22-23(15)3)26-5-4-17(27)21-19(26)28/h10-12H,4-9H2,1-3H3,(H,21,27,28)
InChIKeyFTVIVUYMYYNAJK-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.69
Rot. Bonds3

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

1-[5-fluoro-1-methyl-6-(4-propan-2-ylpiperazin-1-yl)indazol-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 166468113) has the molecular formula C19H25FN6O2 and a molecular weight of 388.45 g/mol. Its IUPAC name is 1-[5-fluoro-1-methyl-6-(4-propan-2-ylpiperazin-1-yl)indazol-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[5-fluoro-1-methyl-6-(4-propan-2-ylpiperazin-1-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
PubChem CID166468113
Molecular FormulaC19H25FN6O2
Molecular Weight388.45 g/mol
Exact Mass388.20
IUPAC Name1-[5-fluoro-1-methyl-6-(4-propan-2-ylpiperazin-1-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
SMILESCC(C)N1CCN(c2cc3c(cc2F)c(N2CCC(=O)NC2=O)nn3C)CC1
InChIInChI=1S/C19H25FN6O2/c1-12(2)24-6-8-25(9-7-24)16-11-15-13(10-14(16)20)18(22-23(15)3)26-5-4-17(27)21-19(26)28/h10-12H,4-9H2,1-3H3,(H,21,27,28)
InChIKeyFTVIVUYMYYNAJK-UHFFFAOYSA-N
XLogP1.69
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
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
ethane;1-(5-fluoro-1,6-dimethylindazol-3-yl)-1,3-diazinane-2,4-dione
CID 177011148
1-[1,5-dimethyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 170931697
methoxymethane;1-[1-methyl-6-(1-propan-2-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 166116682
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-[1-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 166116668
1-[6-[4-[[(3R)-1-[4-amino-5-methoxy-2-(1-methylpyrazol-4-yl)phenyl]pyrrolidin-3-yl]methyl]piperazin-1-yl]-5-fluoro-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 178129541
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-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione;hydrochloride
CID 164898721
5-fluoro-6-(4-propan-2-ylpiperazin-1-yl)-1H-indole-2,3-dione
CID 80729747
1-(7-fluoro-1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione
CID 162725457

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-1-methyl-6-(4-propan-2-ylpiperazin-1-yl)indazol-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[5-fluoro-1-methyl-6-(4-propan-2-ylpiperazin-1-yl)indazol-3-yl]-1,3-diazinane-2,4-dione (CID 166468113) is 1-[5-fluoro-1-methyl-6-(4-propan-2-ylpiperazin-1-yl)indazol-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[5-fluoro-1-methyl-6-(4-propan-2-ylpiperazin-1-yl)indazol-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[5-fluoro-1-methyl-6-(4-propan-2-ylpiperazin-1-yl)indazol-3-yl]-1,3-diazinane-2,4-dione is CC(C)N1CCN(c2cc3c(cc2F)c(N2CCC(=O)NC2=O)nn3C)CC1.
What is the InChIKey of 1-[5-fluoro-1-methyl-6-(4-propan-2-ylpiperazin-1-yl)indazol-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is FTVIVUYMYYNAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN6O2/c1-12(2)24-6-8-25(9-7-24)16-11-15-13(10-14(16)20)18(22-23(15)3)26-5-4-17(27)21-19(26)28/h10-12H,4-9H2,1-3H3,(H,21,27,28).
What are the key properties of 1-[5-fluoro-1-methyl-6-(4-propan-2-ylpiperazin-1-yl)indazol-3-yl]-1,3-diazinane-2,4-dione?
1-[5-fluoro-1-methyl-6-(4-propan-2-ylpiperazin-1-yl)indazol-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 388.45 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-1-methyl-6-(4-propan-2-ylpiperazin-1-yl)indazol-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 166468113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).