methyl 1-(2,4-dimethylpiperazin-1-yl)indazole-7-carboxylate

C15H20N4O2 — CID 176741521

IUPACmethyl 1-(2,4-dimethylpiperazin-1-yl)indazole-7-carboxylate
SMILESCOC(=O)c1cccc2cnn(N3CCN(C)CC3C)c12
InChIInChI=1S/C15H20N4O2/c1-11-10-17(2)7-8-18(11)19-14-12(9-16-19)5-4-6-13(14)15(20)21-3/h4-6,9,11H,7-8,10H2,1-3H3
InChIKeyVWPCAWKNIFBAMC-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.09
Rot. Bonds2

About methyl 1-(2,4-dimethylpiperazin-1-yl)indazole-7-carboxylate

methyl 1-(2,4-dimethylpiperazin-1-yl)indazole-7-carboxylate (PubChem CID 176741521) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl 1-(2,4-dimethylpiperazin-1-yl)indazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,4-dimethylpiperazin-1-yl)indazole-7-carboxylate
PubChem CID176741521
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Namemethyl 1-(2,4-dimethylpiperazin-1-yl)indazole-7-carboxylate
SMILESCOC(=O)c1cccc2cnn(N3CCN(C)CC3C)c12
InChIInChI=1S/C15H20N4O2/c1-11-10-17(2)7-8-18(11)19-14-12(9-16-19)5-4-6-13(14)15(20)21-3/h4-6,9,11H,7-8,10H2,1-3H3
InChIKeyVWPCAWKNIFBAMC-UHFFFAOYSA-N
XLogP1.09
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,4-dimethylpiperazin-1-yl)indazole-7-carboxylate?
The IUPAC name of methyl 1-(2,4-dimethylpiperazin-1-yl)indazole-7-carboxylate (CID 176741521) is methyl 1-(2,4-dimethylpiperazin-1-yl)indazole-7-carboxylate.
What is the SMILES notation for methyl 1-(2,4-dimethylpiperazin-1-yl)indazole-7-carboxylate?
The canonical SMILES for methyl 1-(2,4-dimethylpiperazin-1-yl)indazole-7-carboxylate is COC(=O)c1cccc2cnn(N3CCN(C)CC3C)c12.
What is the InChIKey of methyl 1-(2,4-dimethylpiperazin-1-yl)indazole-7-carboxylate?
The InChIKey is VWPCAWKNIFBAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11-10-17(2)7-8-18(11)19-14-12(9-16-19)5-4-6-13(14)15(20)21-3/h4-6,9,11H,7-8,10H2,1-3H3.
What are the key properties of methyl 1-(2,4-dimethylpiperazin-1-yl)indazole-7-carboxylate?
methyl 1-(2,4-dimethylpiperazin-1-yl)indazole-7-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,4-dimethylpiperazin-1-yl)indazole-7-carboxylate is sourced from PubChem (CID 176741521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).