1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylic acid

C14H18N4O2 — CID 57444018

IUPAC1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylic acid
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)
InChIKeyLWNBYULOMQPPNK-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.02
Rot. Bonds2

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

1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylic acid (PubChem CID 57444018) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylic acid
PubChem CID57444018
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylic acid
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)
InChIKeyLWNBYULOMQPPNK-UHFFFAOYSA-N
XLogP1.02
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylic acid?
The IUPAC name of 1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylic acid (CID 57444018) is 1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylic acid.
What is the SMILES notation for 1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylic acid?
The canonical SMILES for 1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylic acid is CN1CCN(c2nn(C)c3cc(C(=O)O)ccc23)CC1.
What is the InChIKey of 1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylic acid?
The InChIKey is LWNBYULOMQPPNK-UHFFFAOYSA-N. 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).
What are the key properties of 1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylic acid?
1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylic acid is sourced from PubChem (CID 57444018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).