1-[1-methyl-7-(piperazin-1-ylmethyl)indazol-3-yl]-1,3-diazinane-2,4-dione

C17H22N6O2 — CID 176736496

IUPAC1-[1-methyl-7-(piperazin-1-ylmethyl)indazol-3-yl]-1,3-diazinane-2,4-dione
SMILESCn1nc(N2CCC(=O)NC2=O)c2cccc(CN3CCNCC3)c21
InChIInChI=1S/C17H22N6O2/c1-21-15-12(11-22-9-6-18-7-10-22)3-2-4-13(15)16(20-21)23-8-5-14(24)19-17(23)25/h2-4,18H,5-11H2,1H3,(H,19,24,25)
InChIKeyJRDIGIUDQLHEHF-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.42
Rot. Bonds3

About 1-[1-methyl-7-(piperazin-1-ylmethyl)indazol-3-yl]-1,3-diazinane-2,4-dione

1-[1-methyl-7-(piperazin-1-ylmethyl)indazol-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 176736496) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[1-methyl-7-(piperazin-1-ylmethyl)indazol-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[1-methyl-7-(piperazin-1-ylmethyl)indazol-3-yl]-1,3-diazinane-2,4-dione
PubChem CID176736496
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name1-[1-methyl-7-(piperazin-1-ylmethyl)indazol-3-yl]-1,3-diazinane-2,4-dione
SMILESCn1nc(N2CCC(=O)NC2=O)c2cccc(CN3CCNCC3)c21
InChIInChI=1S/C17H22N6O2/c1-21-15-12(11-22-9-6-18-7-10-22)3-2-4-13(15)16(20-21)23-8-5-14(24)19-17(23)25/h2-4,18H,5-11H2,1H3,(H,19,24,25)
InChIKeyJRDIGIUDQLHEHF-UHFFFAOYSA-N
XLogP0.42
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[1-methyl-7-(piperazin-1-ylmethyl)indazol-3-yl]-1,3-diazinane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[7-(4-ethylpiperazin-1-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 171821068
1-(7-fluoro-1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione
CID 162725457
1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-7-yl]piperidine-4-carbaldehyde
CID 172630164
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
1-[7-fluoro-1-methyl-6-(1-piperidin-4-ylpiperidin-4-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 177160699
1-(1-methyl-6-piperazin-1-ylindazol-3-yl)-1,3-diazinane-2,4-dione;hydrochloride
CID 164898721
1-(7-fluoro-1-methyl-6-prop-1-en-2-ylindazol-3-yl)-1,3-diazinane-2,4-dione
CID 178164135
1-(6-bromo-1-methylpyrazolo[5,4-b]pyridin-3-yl)-1,3-diazinane-2,4-dione
CID 178164160
1-[7-methyl-1-(oxetan-3-yl)indazol-3-yl]-1,3-diazinane-2,4-dione
CID 170024201
2-ethyl-6-(piperazin-1-ylmethyl)aniline
CID 82509243
1-[6-(3-hydroxypiperidin-4-yl)-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 166471945

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-7-(piperazin-1-ylmethyl)indazol-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[1-methyl-7-(piperazin-1-ylmethyl)indazol-3-yl]-1,3-diazinane-2,4-dione (CID 176736496) is 1-[1-methyl-7-(piperazin-1-ylmethyl)indazol-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[1-methyl-7-(piperazin-1-ylmethyl)indazol-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[1-methyl-7-(piperazin-1-ylmethyl)indazol-3-yl]-1,3-diazinane-2,4-dione is Cn1nc(N2CCC(=O)NC2=O)c2cccc(CN3CCNCC3)c21.
What is the InChIKey of 1-[1-methyl-7-(piperazin-1-ylmethyl)indazol-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is JRDIGIUDQLHEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-21-15-12(11-22-9-6-18-7-10-22)3-2-4-13(15)16(20-21)23-8-5-14(24)19-17(23)25/h2-4,18H,5-11H2,1H3,(H,19,24,25).
What are the key properties of 1-[1-methyl-7-(piperazin-1-ylmethyl)indazol-3-yl]-1,3-diazinane-2,4-dione?
1-[1-methyl-7-(piperazin-1-ylmethyl)indazol-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 342.40 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-7-(piperazin-1-ylmethyl)indazol-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 176736496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).