lithium 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate

C13H15LiN4O2 — CID 69188513

IUPAClithium 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate
SMILESCN1CCN(c2n[nH]c3cc(C(=O)[O-])ccc23)CC1.[Li+]
InChIInChI=1S/C13H16N4O2.Li/c1-16-4-6-17(7-5-16)12-10-3-2-9(13(18)19)8-11(10)14-15-12;/h2-3,8H,4-7H2,1H3,(H,14,15)(H,18,19);/q;+1/p-1
InChIKeyKAHKKIUMDXPRSY-UHFFFAOYSA-M
MW266.23 g/mol
LogP-3.32
Rot. Bonds2

About lithium 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate

lithium 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate (PubChem CID 69188513) 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-6-carboxylate.

Molecular Properties

Compound Namelithium 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate
PubChem CID69188513
Molecular FormulaC13H15LiN4O2
Molecular Weight266.23 g/mol
Exact Mass266.14
IUPAC Namelithium 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate
SMILESCN1CCN(c2n[nH]c3cc(C(=O)[O-])ccc23)CC1.[Li+]
InChIInChI=1S/C13H16N4O2.Li/c1-16-4-6-17(7-5-16)12-10-3-2-9(13(18)19)8-11(10)14-15-12;/h2-3,8H,4-7H2,1H3,(H,14,15)(H,18,19);/q;+1/p-1
InChIKeyKAHKKIUMDXPRSY-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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Related Compounds

ethane;3-(4-methylpiperazin-1-yl)-1H-indazole
CID 54533851
5-bromo-3-(4-methylpiperazin-1-yl)-1H-indazole
CID 14823442
3-(4-methylpiperazin-1-yl)-5-nitro-1H-indazole
CID 10244398
4-(4-methylpiperazin-1-yl)benzoate
CID 86673981
N-[(4-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxamide
CID 24988747
N-[2-[[5-methyl-2-[[3-(4-methylpiperazin-1-yl)-1H-indazol-6-yl]amino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 175544787
3-(4-methylpiperazin-1-yl)-6-(1-phenylethyl)-1,8-dihydropyrazolo[4,5-g]quinolin-7-one
CID 136952455
5-bromo-4-N-(2-dimethoxyphosphanylphenyl)-2-N-[3-(4-methylpiperazin-1-yl)-1H-indazol-6-yl]pyrimidine-2,4-diamine
CID 162715782
lithium 4-methyl-1-oxo-2H-phthalazine-6-carboxylate
CID 130405833
3-(4-methylpiperazin-1-yl)-6-phenyl-1H-pyridazin-4-one
CID 59867418
4-(4-methylpiperazin-1-yl)-N-[6-(2-phenoxyethoxy)-1H-indazol-3-yl]benzamide
CID 70982216
6-[[5-bromo-4-[2-[(sulfinatoamino)methyl]anilino]pyrimidin-2-yl]amino]-3-(4-methylpiperazin-1-yl)-1H-indazole
CID 162715672

Frequently Asked Questions

What is the IUPAC name of lithium 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate?
The IUPAC name of lithium 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate (CID 69188513) is lithium 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate.
What is the SMILES notation for lithium 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate?
The canonical SMILES for lithium 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate is CN1CCN(c2n[nH]c3cc(C(=O)[O-])ccc23)CC1.[Li+].
What is the InChIKey of lithium 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate?
The InChIKey is KAHKKIUMDXPRSY-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H16N4O2.Li/c1-16-4-6-17(7-5-16)12-10-3-2-9(13(18)19)8-11(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-6-carboxylate?
lithium 3-(4-methylpiperazin-1-yl)-1H-indazole-6-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-6-carboxylate is sourced from PubChem (CID 69188513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).