methylperoxyethane;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole;molecular hydrogen

C20H29N5O2 — CID 144697851

IUPACmethylperoxyethane;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole;molecular hydrogen
SMILESCCOOC.CN1CCN(c2cc(-c3n[nH]c4ccccc34)ccn2)CC1.[H][H]
InChIInChI=1S/C17H19N5.C3H8O2.H2/c1-21-8-10-22(11-9-21)16-12-13(6-7-18-16)17-14-4-2-3-5-15(14)19-20-17;1-3-5-4-2;/h2-7,12H,8-11H2,1H3,(H,19,20);3H2,1-2H3;1H
InChIKeyOSJGVMCIWQUZCC-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.21
Rot. Bonds4

About methylperoxyethane;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole;molecular hydrogen

methylperoxyethane;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole;molecular hydrogen (PubChem CID 144697851) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is methylperoxyethane;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole;molecular hydrogen.

Molecular Properties

Compound Namemethylperoxyethane;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole;molecular hydrogen
PubChem CID144697851
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Namemethylperoxyethane;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole;molecular hydrogen
SMILESCCOOC.CN1CCN(c2cc(-c3n[nH]c4ccccc34)ccn2)CC1.[H][H]
InChIInChI=1S/C17H19N5.C3H8O2.H2/c1-21-8-10-22(11-9-21)16-12-13(6-7-18-16)17-14-4-2-3-5-15(14)19-20-17;1-3-5-4-2;/h2-7,12H,8-11H2,1H3,(H,19,20);3H2,1-2H3;1H
InChIKeyOSJGVMCIWQUZCC-UHFFFAOYSA-N
XLogP3.21
TPSA66.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylperoxyethane;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole;molecular hydrogen?
The IUPAC name of methylperoxyethane;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole;molecular hydrogen (CID 144697851) is methylperoxyethane;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole;molecular hydrogen.
What is the SMILES notation for methylperoxyethane;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole;molecular hydrogen?
The canonical SMILES for methylperoxyethane;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole;molecular hydrogen is CCOOC.CN1CCN(c2cc(-c3n[nH]c4ccccc34)ccn2)CC1.[H][H].
What is the InChIKey of methylperoxyethane;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole;molecular hydrogen?
The InChIKey is OSJGVMCIWQUZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5.C3H8O2.H2/c1-21-8-10-22(11-9-21)16-12-13(6-7-18-16)17-14-4-2-3-5-15(14)19-20-17;1-3-5-4-2;/h2-7,12H,8-11H2,1H3,(H,19,20);3H2,1-2H3;1H.
What are the key properties of methylperoxyethane;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole;molecular hydrogen?
methylperoxyethane;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole;molecular hydrogen has a molecular weight of 371.49 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methylperoxyethane;3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole;molecular hydrogen is sourced from PubChem (CID 144697851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).