N-[6-(3,4-dimethylpiperazin-1-yl)pyridazin-3-yl]-6-ethoxy-2-methylindazole-5-carboxamide;hydrochloride

C21H28ClN7O2 — CID 176646304

IUPACN-[6-(3,4-dimethylpiperazin-1-yl)pyridazin-3-yl]-6-ethoxy-2-methylindazole-5-carboxamide;hydrochloride
SMILESCCOc1cc2nn(C)cc2cc1C(=O)Nc1ccc(N2CCN(C)C(C)C2)nn1.Cl
InChIInChI=1S/C21H27N7O2.ClH/c1-5-30-18-11-17-15(13-27(4)25-17)10-16(18)21(29)22-19-6-7-20(24-23-19)28-9-8-26(3)14(2)12-28;/h6-7,10-11,13-14H,5,8-9,12H2,1-4H3,(H,22,23,29);1H
InChIKeyVOQOEUVWHUQMPC-UHFFFAOYSA-N
MW445.96 g/mol
LogP2.58
Rot. Bonds5

About N-[6-(3,4-dimethylpiperazin-1-yl)pyridazin-3-yl]-6-ethoxy-2-methylindazole-5-carboxamide;hydrochloride

N-[6-(3,4-dimethylpiperazin-1-yl)pyridazin-3-yl]-6-ethoxy-2-methylindazole-5-carboxamide;hydrochloride (PubChem CID 176646304) has the molecular formula C21H28ClN7O2 and a molecular weight of 445.96 g/mol. Its IUPAC name is N-[6-(3,4-dimethylpiperazin-1-yl)pyridazin-3-yl]-6-ethoxy-2-methylindazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[6-(3,4-dimethylpiperazin-1-yl)pyridazin-3-yl]-6-ethoxy-2-methylindazole-5-carboxamide;hydrochloride
PubChem CID176646304
Molecular FormulaC21H28ClN7O2
Molecular Weight445.96 g/mol
Exact Mass445.20
IUPAC NameN-[6-(3,4-dimethylpiperazin-1-yl)pyridazin-3-yl]-6-ethoxy-2-methylindazole-5-carboxamide;hydrochloride
SMILESCCOc1cc2nn(C)cc2cc1C(=O)Nc1ccc(N2CCN(C)C(C)C2)nn1.Cl
InChIInChI=1S/C21H27N7O2.ClH/c1-5-30-18-11-17-15(13-27(4)25-17)10-16(18)21(29)22-19-6-7-20(24-23-19)28-9-8-26(3)14(2)12-28;/h6-7,10-11,13-14H,5,8-9,12H2,1-4H3,(H,22,23,29);1H
InChIKeyVOQOEUVWHUQMPC-UHFFFAOYSA-N
XLogP2.58
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.96
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dimethylpiperazin-1-yl)pyridazin-3-yl]-6-ethoxy-2-methylindazole-5-carboxamide;hydrochloride?
The IUPAC name of N-[6-(3,4-dimethylpiperazin-1-yl)pyridazin-3-yl]-6-ethoxy-2-methylindazole-5-carboxamide;hydrochloride (CID 176646304) is N-[6-(3,4-dimethylpiperazin-1-yl)pyridazin-3-yl]-6-ethoxy-2-methylindazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[6-(3,4-dimethylpiperazin-1-yl)pyridazin-3-yl]-6-ethoxy-2-methylindazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-[6-(3,4-dimethylpiperazin-1-yl)pyridazin-3-yl]-6-ethoxy-2-methylindazole-5-carboxamide;hydrochloride is CCOc1cc2nn(C)cc2cc1C(=O)Nc1ccc(N2CCN(C)C(C)C2)nn1.Cl.
What is the InChIKey of N-[6-(3,4-dimethylpiperazin-1-yl)pyridazin-3-yl]-6-ethoxy-2-methylindazole-5-carboxamide;hydrochloride?
The InChIKey is VOQOEUVWHUQMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O2.ClH/c1-5-30-18-11-17-15(13-27(4)25-17)10-16(18)21(29)22-19-6-7-20(24-23-19)28-9-8-26(3)14(2)12-28;/h6-7,10-11,13-14H,5,8-9,12H2,1-4H3,(H,22,23,29);1H.
What are the key properties of N-[6-(3,4-dimethylpiperazin-1-yl)pyridazin-3-yl]-6-ethoxy-2-methylindazole-5-carboxamide;hydrochloride?
N-[6-(3,4-dimethylpiperazin-1-yl)pyridazin-3-yl]-6-ethoxy-2-methylindazole-5-carboxamide;hydrochloride has a molecular weight of 445.96 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dimethylpiperazin-1-yl)pyridazin-3-yl]-6-ethoxy-2-methylindazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 176646304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).