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

C13H15N4O2- — CID 57444025

IUPAC3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate
SMILESCN1CCN(c2n[nH]c3cc(C(=O)[O-])ccc23)CC1
InChIInChI=1S/C13H16N4O2/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)/p-1
InChIKeyATCUUYWNALCGKZ-UHFFFAOYSA-M
MW259.29 g/mol
LogP-0.32
Rot. Bonds2

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

3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate (PubChem CID 57444025) has the molecular formula C13H15N4O2- and a molecular weight of 259.29 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate
PubChem CID57444025
Molecular FormulaC13H15N4O2-
Molecular Weight259.29 g/mol
Exact Mass259.12
IUPAC Name3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate
SMILESCN1CCN(c2n[nH]c3cc(C(=O)[O-])ccc23)CC1
InChIInChI=1S/C13H16N4O2/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)/p-1
InChIKeyATCUUYWNALCGKZ-UHFFFAOYSA-M
XLogP-0.32
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-((5-acetyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl) amino)benzoate
CID 121365398
3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-4-methylbenzoic acid
CID 164879184
3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]-1H-indazole-6-carboxylic acid
CID 153984496
lithium;3-[2-(dimethylamino)ethyl-methylamino]-1H-indazole-6-carboxylate;3-[2-(dimethylamino)ethyl-methylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-6-carboxamide;methane;[4-(trifluoromethyl)phenyl]methanamine
CID 159162018
lithium;methane;3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate;3-(4-methylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazole-6-carboxamide;[4-(trifluoromethyl)phenyl]methanamine
CID 161189462
2-[[[4-[4-(cyclohexen-1-yl)-2-fluorophenyl]-1H-indazol-3-yl]amino]methyl]benzoic acid
CID 175800037
2-[[[4-[4-(cyclohexen-1-yl)-3-fluorophenyl]-1H-indazol-3-yl]amino]methyl]benzoic acid
CID 176071806
3-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]-1H-indazole-6-carboxylate
CID 153984495
3-(2,2,2-trifluoroacetamido)-1H-indazole-6-carboxylic acid
CID 165757428
3-amino-1H-indazole-6-carboxylic Acid
CID 11600762
3-(4-Methyl-piperazin-1-yl)-1H-indazole-6-carboxylic acid benzylamide
CID 24987271
1-Methyl-3-(4-methylpiperazin-1-yl)indazole-6-carboxylic acid
CID 57444018

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate (CID 57444025) is 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate is CN1CCN(c2n[nH]c3cc(C(=O)[O-])ccc23)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate?
The InChIKey is ATCUUYWNALCGKZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H16N4O2/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)/p-1.
What are the key properties of 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate?
3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate has a molecular weight of 259.29 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate is sourced from PubChem (CID 57444025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).