1-(7-fluoro-1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione

C16H19FN6O2 — CID 162725457

IUPAC1-(7-fluoro-1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione
SMILESCn1nc(N2CCC(=O)NC2=O)c2ccc(N3CCNCC3)c(F)c21
InChIInChI=1S/C16H19FN6O2/c1-21-14-10(15(20-21)23-7-4-12(24)19-16(23)25)2-3-11(13(14)17)22-8-5-18-6-9-22/h2-3,18H,4-9H2,1H3,(H,19,24,25)
InChIKeyFEWSZYUQFWMVPR-UHFFFAOYSA-N
MW346.37 g/mol
LogP0.57
Rot. Bonds2

About 1-(7-fluoro-1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione

1-(7-fluoro-1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione (PubChem CID 162725457) has the molecular formula C16H19FN6O2 and a molecular weight of 346.37 g/mol. Its IUPAC name is 1-(7-fluoro-1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(7-fluoro-1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione
PubChem CID162725457
Molecular FormulaC16H19FN6O2
Molecular Weight346.37 g/mol
Exact Mass346.16
IUPAC Name1-(7-fluoro-1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione
SMILESCn1nc(N2CCC(=O)NC2=O)c2ccc(N3CCNCC3)c(F)c21
InChIInChI=1S/C16H19FN6O2/c1-21-14-10(15(20-21)23-7-4-12(24)19-16(23)25)2-3-11(13(14)17)22-8-5-18-6-9-22/h2-3,18H,4-9H2,1H3,(H,19,24,25)
InChIKeyFEWSZYUQFWMVPR-UHFFFAOYSA-N
XLogP0.57
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(7-fluoro-1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione (CID 162725457) is 1-(7-fluoro-1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(7-fluoro-1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(7-fluoro-1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione is Cn1nc(N2CCC(=O)NC2=O)c2ccc(N3CCNCC3)c(F)c21.
What is the InChIKey of 1-(7-fluoro-1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione?
The InChIKey is FEWSZYUQFWMVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN6O2/c1-21-14-10(15(20-21)23-7-4-12(24)19-16(23)25)2-3-11(13(14)17)22-8-5-18-6-9-22/h2-3,18H,4-9H2,1H3,(H,19,24,25).
What are the key properties of 1-(7-fluoro-1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione?
1-(7-fluoro-1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione has a molecular weight of 346.37 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 162725457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).