5-chloro-6-piperazin-1-yl-1H-indazole;3-methyloxolane

C16H23ClN4O — CID 155734952

IUPAC5-chloro-6-piperazin-1-yl-1H-indazole;3-methyloxolane
SMILESCC1CCOC1.Clc1cc2cn[nH]c2cc1N1CCNCC1
InChIInChI=1S/C11H13ClN4.C5H10O/c12-9-5-8-7-14-15-10(8)6-11(9)16-3-1-13-2-4-16;1-5-2-3-6-4-5/h5-7,13H,1-4H2,(H,14,15);5H,2-4H2,1H3
InChIKeyLNMNNJWFTWUHLF-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.67
Rot. Bonds1

About 5-chloro-6-piperazin-1-yl-1H-indazole;3-methyloxolane

5-chloro-6-piperazin-1-yl-1H-indazole;3-methyloxolane (PubChem CID 155734952) has the molecular formula C16H23ClN4O and a molecular weight of 322.84 g/mol. Its IUPAC name is 5-chloro-6-piperazin-1-yl-1H-indazole;3-methyloxolane.

Molecular Properties

Compound Name5-chloro-6-piperazin-1-yl-1H-indazole;3-methyloxolane
PubChem CID155734952
Molecular FormulaC16H23ClN4O
Molecular Weight322.84 g/mol
Exact Mass322.16
IUPAC Name5-chloro-6-piperazin-1-yl-1H-indazole;3-methyloxolane
SMILESCC1CCOC1.Clc1cc2cn[nH]c2cc1N1CCNCC1
InChIInChI=1S/C11H13ClN4.C5H10O/c12-9-5-8-7-14-15-10(8)6-11(9)16-3-1-13-2-4-16;1-5-2-3-6-4-5/h5-7,13H,1-4H2,(H,14,15);5H,2-4H2,1H3
InChIKeyLNMNNJWFTWUHLF-UHFFFAOYSA-N
XLogP2.67
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-piperazin-1-yl-1H-indazole;3-methyloxolane?
The IUPAC name of 5-chloro-6-piperazin-1-yl-1H-indazole;3-methyloxolane (CID 155734952) is 5-chloro-6-piperazin-1-yl-1H-indazole;3-methyloxolane.
What is the SMILES notation for 5-chloro-6-piperazin-1-yl-1H-indazole;3-methyloxolane?
The canonical SMILES for 5-chloro-6-piperazin-1-yl-1H-indazole;3-methyloxolane is CC1CCOC1.Clc1cc2cn[nH]c2cc1N1CCNCC1.
What is the InChIKey of 5-chloro-6-piperazin-1-yl-1H-indazole;3-methyloxolane?
The InChIKey is LNMNNJWFTWUHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4.C5H10O/c12-9-5-8-7-14-15-10(8)6-11(9)16-3-1-13-2-4-16;1-5-2-3-6-4-5/h5-7,13H,1-4H2,(H,14,15);5H,2-4H2,1H3.
What are the key properties of 5-chloro-6-piperazin-1-yl-1H-indazole;3-methyloxolane?
5-chloro-6-piperazin-1-yl-1H-indazole;3-methyloxolane has a molecular weight of 322.84 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-piperazin-1-yl-1H-indazole;3-methyloxolane is sourced from PubChem (CID 155734952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).