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

C14H17LiN4O2 — CID 69187676

IUPAClithium 1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate
SMILESCN1CCN(c2nn(C)c3cc(C(=O)[O-])ccc23)CC1.[Li+]
InChIInChI=1S/C14H18N4O2.Li/c1-16-5-7-18(8-6-16)13-11-4-3-10(14(19)20)9-12(11)17(2)15-13;/h3-4,9H,5-8H2,1-2H3,(H,19,20);/q;+1/p-1
InChIKeyOTMGXSJWASCUQR-UHFFFAOYSA-M
MW280.26 g/mol
LogP-3.31
Rot. Bonds2

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

lithium 1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate (PubChem CID 69187676) has the molecular formula C14H17LiN4O2 and a molecular weight of 280.26 g/mol. Its IUPAC name is lithium 1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate.

Molecular Properties

Compound Namelithium 1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate
PubChem CID69187676
Molecular FormulaC14H17LiN4O2
Molecular Weight280.26 g/mol
Exact Mass280.15
IUPAC Namelithium 1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate
SMILESCN1CCN(c2nn(C)c3cc(C(=O)[O-])ccc23)CC1.[Li+]
InChIInChI=1S/C14H18N4O2.Li/c1-16-5-7-18(8-6-16)13-11-4-3-10(14(19)20)9-12(11)17(2)15-13;/h3-4,9H,5-8H2,1-2H3,(H,19,20);/q;+1/p-1
InChIKeyOTMGXSJWASCUQR-UHFFFAOYSA-M
XLogP-3.31
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 5-3.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[6-(3-Fluorophenyl)-3-(4-prop-2-enoylpiperazin-1-yl)indazol-2-yl]methyl]benzoic acid
CID 168269210
lithium;methane;1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate;1-methyl-3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]indazole-6-carboxamide;[4-(trifluoromethyl)phenyl]methanamine
CID 157683849
1-cyclopentyl-3-ethyl-1H-indazole-6-carboxylic acid
CID 15545851
3-Ethyl-1-propan-2-ylindazole-6-carboxylic acid
CID 21183685
1-Cyclobutyl-3-ethylindazole-6-carboxylic acid
CID 21183691
1-(Cyclopropylmethyl)-3-ethylindazole-6-carboxylic acid
CID 21183694
1-Cyclohexyl-3-ethylindazole-6-carboxylic acid
CID 21183707
1-Benzyl-3-methyl-indazole-6-carboxylic acid
CID 22663189
Methyl 2-benzyl-3-methyl-indazole-6-carboxylate
CID 22663194
Methyl 1-benzyl-3-methyl-1H-indazole-6-carboxylate
CID 22663327
3-Ethyl-1-isopropyl-1H-indazole-6-carboxylic acid methyl ester
CID 53710128
1-Cyclohex-2-enyl-3-ethyl-1H-indazole-6-carboxylic acid methyl ester
CID 54264252

Frequently Asked Questions

What is the IUPAC name of lithium 1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate?
The IUPAC name of lithium 1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate (CID 69187676) is lithium 1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate.
What is the SMILES notation for lithium 1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate?
The canonical SMILES for lithium 1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate is CN1CCN(c2nn(C)c3cc(C(=O)[O-])ccc23)CC1.[Li+].
What is the InChIKey of lithium 1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate?
The InChIKey is OTMGXSJWASCUQR-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H18N4O2.Li/c1-16-5-7-18(8-6-16)13-11-4-3-10(14(19)20)9-12(11)17(2)15-13;/h3-4,9H,5-8H2,1-2H3,(H,19,20);/q;+1/p-1.
What are the key properties of lithium 1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate?
lithium 1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate has a molecular weight of 280.26 g/mol, XLogP of -3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate is sourced from PubChem (CID 69187676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).