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

C14H18N4O2 — CID 57444024

IUPACmethyl 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate
SMILESCOC(=O)c1ccc2c(N3CCN(C)CC3)n[nH]c2c1
InChIInChI=1S/C14H18N4O2/c1-17-5-7-18(8-6-17)13-11-4-3-10(14(19)20-2)9-12(11)15-16-13/h3-4,9H,5-8H2,1-2H3,(H,15,16)
InChIKeyVARNJUDNOQLTBZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.10
Rot. Bonds2

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

methyl 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate (PubChem CID 57444024) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate
PubChem CID57444024
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Namemethyl 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate
SMILESCOC(=O)c1ccc2c(N3CCN(C)CC3)n[nH]c2c1
InChIInChI=1S/C14H18N4O2/c1-17-5-7-18(8-6-17)13-11-4-3-10(14(19)20-2)9-12(11)15-16-13/h3-4,9H,5-8H2,1-2H3,(H,15,16)
InChIKeyVARNJUDNOQLTBZ-UHFFFAOYSA-N
XLogP1.10
TPSA61.46 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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate?
The IUPAC name of methyl 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate (CID 57444024) is methyl 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate.
What is the SMILES notation for methyl 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate?
The canonical SMILES for methyl 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate is COC(=O)c1ccc2c(N3CCN(C)CC3)n[nH]c2c1.
What is the InChIKey of methyl 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate?
The InChIKey is VARNJUDNOQLTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-17-5-7-18(8-6-17)13-11-4-3-10(14(19)20-2)9-12(11)15-16-13/h3-4,9H,5-8H2,1-2H3,(H,15,16).
What are the key properties of methyl 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate?
methyl 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxylate is sourced from PubChem (CID 57444024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).