1-[7-(4-ethylpiperazin-1-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione

C18H24N6O2 — CID 171821068

IUPAC1-[7-(4-ethylpiperazin-1-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
SMILESCCN1CCN(c2cccc3c(N4CCC(=O)NC4=O)nn(C)c23)CC1
InChIInChI=1S/C18H24N6O2/c1-3-22-9-11-23(12-10-22)14-6-4-5-13-16(14)21(2)20-17(13)24-8-7-15(25)19-18(24)26/h4-6H,3,7-12H2,1-2H3,(H,19,25,26)
InChIKeyQINUZAXVGSGRHH-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.16
Rot. Bonds3

About 1-[7-(4-ethylpiperazin-1-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione

1-[7-(4-ethylpiperazin-1-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 171821068) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[7-(4-ethylpiperazin-1-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[7-(4-ethylpiperazin-1-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
PubChem CID171821068
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name1-[7-(4-ethylpiperazin-1-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
SMILESCCN1CCN(c2cccc3c(N4CCC(=O)NC4=O)nn(C)c23)CC1
InChIInChI=1S/C18H24N6O2/c1-3-22-9-11-23(12-10-22)14-6-4-5-13-16(14)21(2)20-17(13)24-8-7-15(25)19-18(24)26/h4-6H,3,7-12H2,1-2H3,(H,19,25,26)
InChIKeyQINUZAXVGSGRHH-UHFFFAOYSA-N
XLogP1.16
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-7-yl]piperidine-4-carbaldehyde
CID 172630164
1-[1-methyl-7-(piperazin-1-ylmethyl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 176736496
1-(7-fluoro-1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione
CID 162725457
N-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-7-yl]-2-(4-propylpiperazin-1-yl)acetamide
CID 166912146
1-[7-[3-[(2R,6S)-2,6-dimethylpiperazin-1-yl]propylamino]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 162529778
3-[1-methyl-7-[4-(piperidin-4-ylmethyl)piperazin-1-yl]indazol-3-yl]piperidine-2,6-dione
CID 170433398
1-(7-fluoro-1-methyl-6-prop-1-en-2-ylindazol-3-yl)-1,3-diazinane-2,4-dione
CID 178164135
1-[1-methyl-7-[4-[4-[4-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-ylamino)phenyl]piperidin-1-yl]piperidin-1-yl]indazol-3-yl]-1,3-diazinane-2,4-dione
CID 177362763
1-(6-bromo-1-methylpyrazolo[5,4-b]pyridin-3-yl)-1,3-diazinane-2,4-dione
CID 178164160
3-[7-[4-[(2R)-3-cyclohexyl-2-methylpropyl]piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 175632674
1-[7-methyl-1-(oxetan-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 170024201
1-[5-fluoro-1-methyl-6-(4-propan-2-ylpiperazin-1-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 166468113

Frequently Asked Questions

What is the IUPAC name of 1-[7-(4-ethylpiperazin-1-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[7-(4-ethylpiperazin-1-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione (CID 171821068) is 1-[7-(4-ethylpiperazin-1-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[7-(4-ethylpiperazin-1-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[7-(4-ethylpiperazin-1-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione is CCN1CCN(c2cccc3c(N4CCC(=O)NC4=O)nn(C)c23)CC1.
What is the InChIKey of 1-[7-(4-ethylpiperazin-1-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is QINUZAXVGSGRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-3-22-9-11-23(12-10-22)14-6-4-5-13-16(14)21(2)20-17(13)24-8-7-15(25)19-18(24)26/h4-6H,3,7-12H2,1-2H3,(H,19,25,26).
What are the key properties of 1-[7-(4-ethylpiperazin-1-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione?
1-[7-(4-ethylpiperazin-1-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 356.43 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(4-ethylpiperazin-1-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171821068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).