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

C14H17N4O2- — CID 59746325

IUPAC1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate
SMILESCN1CCN(c2nn(C)c3cc(C(=O)[O-])ccc23)CC1
InChIInChI=1S/C14H18N4O2/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)/p-1
InChIKeyLWNBYULOMQPPNK-UHFFFAOYSA-M
MW273.32 g/mol
LogP-0.31
Rot. Bonds2

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

1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate (PubChem CID 59746325) has the molecular formula C14H17N4O2- and a molecular weight of 273.32 g/mol. Its IUPAC name is 1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate.

Molecular Properties

Compound Name1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate
PubChem CID59746325
Molecular FormulaC14H17N4O2-
Molecular Weight273.32 g/mol
Exact Mass273.14
IUPAC Name1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate
SMILESCN1CCN(c2nn(C)c3cc(C(=O)[O-])ccc23)CC1
InChIInChI=1S/C14H18N4O2/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)/p-1
InChIKeyLWNBYULOMQPPNK-UHFFFAOYSA-M
XLogP-0.31
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-Dimethyl-1H-indazole-6-carboxylic acid
CID 55271675
4-[[6-(3-Fluorophenyl)-3-(4-prop-2-enoylpiperazin-1-yl)indazol-2-yl]methyl]benzoic acid
CID 168269210
1-cyclopentyl-3-ethyl-1H-indazole-6-carboxylic acid
CID 15545851
1-butyl-1H-indazole-6-carboxylic acid
CID 21085166
Methyl 1-butyl-1H-indazole-6-carboxylate
CID 21086132
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-ethyl-1H-indazole-6-carboxylic acid
CID 21183716
1-Benzyl-3-methyl-indazole-6-carboxylic acid
CID 22663189
Methyl 2-benzyl-3-methyl-indazole-6-carboxylate
CID 22663194

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate?
The IUPAC name of 1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate (CID 59746325) is 1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate.
What is the SMILES notation for 1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate?
The canonical SMILES for 1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate is CN1CCN(c2nn(C)c3cc(C(=O)[O-])ccc23)CC1.
What is the InChIKey of 1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate?
The InChIKey is LWNBYULOMQPPNK-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H18N4O2/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)/p-1.
What are the key properties of 1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate?
1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate has a molecular weight of 273.32 g/mol, XLogP of -0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylate is sourced from PubChem (CID 59746325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).