3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylic acid

C13H16N4O2 — CID 57444029

IUPAC3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylic acid
SMILESCN1CCN(c2n[nH]c3ccc(C(=O)O)cc23)CC1
InChIInChI=1S/C13H16N4O2/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)
InChIKeyAIKBZHWRCXDCRA-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.01
Rot. Bonds2

About 3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylic acid

3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylic acid (PubChem CID 57444029) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylic acid
PubChem CID57444029
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylic acid
SMILESCN1CCN(c2n[nH]c3ccc(C(=O)O)cc23)CC1
InChIInChI=1S/C13H16N4O2/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)
InChIKeyAIKBZHWRCXDCRA-UHFFFAOYSA-N
XLogP1.01
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylic acid?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylic acid (CID 57444029) is 3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylic acid?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylic acid is CN1CCN(c2n[nH]c3ccc(C(=O)O)cc23)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylic acid?
The InChIKey is AIKBZHWRCXDCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/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).
What are the key properties of 3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylic acid?
3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylic acid has a molecular weight of 260.30 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 57444029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).