[4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]-2-methylpiperazin-1-yl]-phenylmethanone

C23H25N5O2 — CID 145145592

IUPAC[4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]-2-methylpiperazin-1-yl]-phenylmethanone
SMILESCNc1nnc(-c2ccccc2O)cc1N1CCN(C(=O)c2ccccc2)C(C)C1
InChIInChI=1S/C23H25N5O2/c1-16-15-27(12-13-28(16)23(30)17-8-4-3-5-9-17)20-14-19(25-26-22(20)24-2)18-10-6-7-11-21(18)29/h3-11,14,16,29H,12-13,15H2,1-2H3,(H,24,26)
InChIKeyGBYJNCREZNLGQK-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.24
Rot. Bonds4

About [4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]-2-methylpiperazin-1-yl]-phenylmethanone

[4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]-2-methylpiperazin-1-yl]-phenylmethanone (PubChem CID 145145592) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is [4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]-2-methylpiperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]-2-methylpiperazin-1-yl]-phenylmethanone
PubChem CID145145592
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name[4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]-2-methylpiperazin-1-yl]-phenylmethanone
SMILESCNc1nnc(-c2ccccc2O)cc1N1CCN(C(=O)c2ccccc2)C(C)C1
InChIInChI=1S/C23H25N5O2/c1-16-15-27(12-13-28(16)23(30)17-8-4-3-5-9-17)20-14-19(25-26-22(20)24-2)18-10-6-7-11-21(18)29/h3-11,14,16,29H,12-13,15H2,1-2H3,(H,24,26)
InChIKeyGBYJNCREZNLGQK-UHFFFAOYSA-N
XLogP3.24
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]-2-methylpiperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]-2-methylpiperazin-1-yl]-phenylmethanone (CID 145145592) is [4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]-2-methylpiperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]-2-methylpiperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]-2-methylpiperazin-1-yl]-phenylmethanone is CNc1nnc(-c2ccccc2O)cc1N1CCN(C(=O)c2ccccc2)C(C)C1.
What is the InChIKey of [4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]-2-methylpiperazin-1-yl]-phenylmethanone?
The InChIKey is GBYJNCREZNLGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-16-15-27(12-13-28(16)23(30)17-8-4-3-5-9-17)20-14-19(25-26-22(20)24-2)18-10-6-7-11-21(18)29/h3-11,14,16,29H,12-13,15H2,1-2H3,(H,24,26).
What are the key properties of [4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]-2-methylpiperazin-1-yl]-phenylmethanone?
[4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]-2-methylpiperazin-1-yl]-phenylmethanone has a molecular weight of 403.49 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(2-hydroxyphenyl)-3-(methylamino)pyridazin-4-yl]-2-methylpiperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 145145592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).