2-[6-amino-5-(4-benzyl-3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]phenol

C23H27N5O — CID 137029387

IUPAC2-[6-amino-5-(4-benzyl-3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]phenol
SMILESCC1CN(c2cc(-c3ccccc3O)nnc2N)CC(C)N1Cc1ccccc1
InChIInChI=1S/C23H27N5O/c1-16-13-27(14-17(2)28(16)15-18-8-4-3-5-9-18)21-12-20(25-26-23(21)24)19-10-6-7-11-22(19)29/h3-12,16-17,29H,13-15H2,1-2H3,(H2,24,26)
InChIKeyIYEFXJIOVKGYQQ-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.53
Rot. Bonds4

About 2-[6-amino-5-(4-benzyl-3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]phenol

2-[6-amino-5-(4-benzyl-3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]phenol (PubChem CID 137029387) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[6-amino-5-(4-benzyl-3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-(4-benzyl-3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]phenol
PubChem CID137029387
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name2-[6-amino-5-(4-benzyl-3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]phenol
SMILESCC1CN(c2cc(-c3ccccc3O)nnc2N)CC(C)N1Cc1ccccc1
InChIInChI=1S/C23H27N5O/c1-16-13-27(14-17(2)28(16)15-18-8-4-3-5-9-18)21-12-20(25-26-23(21)24)19-10-6-7-11-22(19)29/h3-12,16-17,29H,13-15H2,1-2H3,(H2,24,26)
InChIKeyIYEFXJIOVKGYQQ-UHFFFAOYSA-N
XLogP3.53
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Gne-064
CID 137029447
Sgc-smarca-brdviii
CID 137045929
SMARCA-BD ligand 1 for Protac
CID 137045944
2-[6-azanyl-5-[(3~{R})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol
CID 154573640
1-[3-Azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol
CID 154573641
2-{6-[2-(8-Aza-bicyclo[3.2.1]oct-8-yl)-ethylamino]-4-methyl-pyridazin-3-yl}-phenol
CID 135525247
5-Fluoro-2-{6-[methyl-(2,2,6,6-tetramethyl-piperidin-4-yl)-amino]-pyridazin-3-yl}-phenol
CID 136253018
US10308614, Example 45
CID 137029366
2-(6-Amino-5-(pyrrolidin-
CID 137029371
US10308614, Example 6
CID 137029398
US10308614, Example 8
CID 137029438
2-(6-Amino-5-(piperidin-1-yl)pyridazin-3-yl)phenol
CID 137045907

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(4-benzyl-3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-(4-benzyl-3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]phenol (CID 137029387) is 2-[6-amino-5-(4-benzyl-3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-(4-benzyl-3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-(4-benzyl-3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]phenol is CC1CN(c2cc(-c3ccccc3O)nnc2N)CC(C)N1Cc1ccccc1.
What is the InChIKey of 2-[6-amino-5-(4-benzyl-3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]phenol?
The InChIKey is IYEFXJIOVKGYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-16-13-27(14-17(2)28(16)15-18-8-4-3-5-9-18)21-12-20(25-26-23(21)24)19-10-6-7-11-22(19)29/h3-12,16-17,29H,13-15H2,1-2H3,(H2,24,26).
What are the key properties of 2-[6-amino-5-(4-benzyl-3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]phenol?
2-[6-amino-5-(4-benzyl-3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]phenol has a molecular weight of 389.50 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-(4-benzyl-3,5-dimethylpiperazin-1-yl)pyridazin-3-yl]phenol is sourced from PubChem (CID 137029387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).