lithium 3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylate

C13H15LiN4O2 — CID 69188448

IUPAClithium 3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylate
SMILESCN1CCN(c2n[nH]c3ccc(C(=O)[O-])cc23)CC1.[Li+]
InChIInChI=1S/C13H16N4O2.Li/c1-16-4-6-17(7-5-16)12-10-8-9(13(18)19)2-3-11(10)14-15-12;/h2-3,8H,4-7H2,1H3,(H,14,15)(H,18,19);/q;+1/p-1
InChIKeyUHTMMRSHCIMGIC-UHFFFAOYSA-M
MW266.23 g/mol
LogP-3.32
Rot. Bonds2

About lithium 3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylate

lithium 3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylate (PubChem CID 69188448) has the molecular formula C13H15LiN4O2 and a molecular weight of 266.23 g/mol. Its IUPAC name is lithium 3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylate.

Molecular Properties

Compound Namelithium 3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylate
PubChem CID69188448
Molecular FormulaC13H15LiN4O2
Molecular Weight266.23 g/mol
Exact Mass266.14
IUPAC Namelithium 3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylate
SMILESCN1CCN(c2n[nH]c3ccc(C(=O)[O-])cc23)CC1.[Li+]
InChIInChI=1S/C13H16N4O2.Li/c1-16-4-6-17(7-5-16)12-10-8-9(13(18)19)2-3-11(10)14-15-12;/h2-3,8H,4-7H2,1H3,(H,14,15)(H,18,19);/q;+1/p-1
InChIKeyUHTMMRSHCIMGIC-UHFFFAOYSA-M
XLogP-3.32
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 5-3.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of lithium 3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylate?
The IUPAC name of lithium 3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylate (CID 69188448) is lithium 3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylate.
What is the SMILES notation for lithium 3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylate?
The canonical SMILES for lithium 3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylate is CN1CCN(c2n[nH]c3ccc(C(=O)[O-])cc23)CC1.[Li+].
What is the InChIKey of lithium 3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylate?
The InChIKey is UHTMMRSHCIMGIC-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H16N4O2.Li/c1-16-4-6-17(7-5-16)12-10-8-9(13(18)19)2-3-11(10)14-15-12;/h2-3,8H,4-7H2,1H3,(H,14,15)(H,18,19);/q;+1/p-1.
What are the key properties of lithium 3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylate?
lithium 3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylate has a molecular weight of 266.23 g/mol, XLogP of -3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylate is sourced from PubChem (CID 69188448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).