5,6-dimethoxy-3-(4-methylpiperazin-1-yl)-1H-indazole

C14H20N4O2 — CID 19979552

IUPAC5,6-dimethoxy-3-(4-methylpiperazin-1-yl)-1H-indazole
SMILESCOc1cc2[nH]nc(N3CCN(C)CC3)c2cc1OC
InChIInChI=1S/C14H20N4O2/c1-17-4-6-18(7-5-17)14-10-8-12(19-2)13(20-3)9-11(10)15-16-14/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyNQIATMFAVHFMMQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.33
Rot. Bonds3

About 5,6-dimethoxy-3-(4-methylpiperazin-1-yl)-1H-indazole

5,6-dimethoxy-3-(4-methylpiperazin-1-yl)-1H-indazole (PubChem CID 19979552) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5,6-dimethoxy-3-(4-methylpiperazin-1-yl)-1H-indazole.

Molecular Properties

Compound Name5,6-dimethoxy-3-(4-methylpiperazin-1-yl)-1H-indazole
PubChem CID19979552
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name5,6-dimethoxy-3-(4-methylpiperazin-1-yl)-1H-indazole
SMILESCOc1cc2[nH]nc(N3CCN(C)CC3)c2cc1OC
InChIInChI=1S/C14H20N4O2/c1-17-4-6-18(7-5-17)14-10-8-12(19-2)13(20-3)9-11(10)15-16-14/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyNQIATMFAVHFMMQ-UHFFFAOYSA-N
XLogP1.33
TPSA53.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-3-(4-methylpiperazin-1-yl)-1H-indazole?
The IUPAC name of 5,6-dimethoxy-3-(4-methylpiperazin-1-yl)-1H-indazole (CID 19979552) is 5,6-dimethoxy-3-(4-methylpiperazin-1-yl)-1H-indazole.
What is the SMILES notation for 5,6-dimethoxy-3-(4-methylpiperazin-1-yl)-1H-indazole?
The canonical SMILES for 5,6-dimethoxy-3-(4-methylpiperazin-1-yl)-1H-indazole is COc1cc2[nH]nc(N3CCN(C)CC3)c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-3-(4-methylpiperazin-1-yl)-1H-indazole?
The InChIKey is NQIATMFAVHFMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-17-4-6-18(7-5-17)14-10-8-12(19-2)13(20-3)9-11(10)15-16-14/h8-9H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 5,6-dimethoxy-3-(4-methylpiperazin-1-yl)-1H-indazole?
5,6-dimethoxy-3-(4-methylpiperazin-1-yl)-1H-indazole has a molecular weight of 276.34 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-3-(4-methylpiperazin-1-yl)-1H-indazole is sourced from PubChem (CID 19979552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).