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

C22H23N5O2 — CID 137029454

IUPAC[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-phenylmethanone
SMILESCC1CN(c2cc(-c3ccccc3O)nnc2N)CCN1C(=O)c1ccccc1
InChIInChI=1S/C22H23N5O2/c1-15-14-26(11-12-27(15)22(29)16-7-3-2-4-8-16)19-13-18(24-25-21(19)23)17-9-5-6-10-20(17)28/h2-10,13,15,28H,11-12,14H2,1H3,(H2,23,25)
InChIKeyFEPZCELQVIKKCX-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.78
Rot. Bonds3

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

[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-phenylmethanone (PubChem CID 137029454) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-phenylmethanone
PubChem CID137029454
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-phenylmethanone
SMILESCC1CN(c2cc(-c3ccccc3O)nnc2N)CCN1C(=O)c1ccccc1
InChIInChI=1S/C22H23N5O2/c1-15-14-26(11-12-27(15)22(29)16-7-3-2-4-8-16)19-13-18(24-25-21(19)23)17-9-5-6-10-20(17)28/h2-10,13,15,28H,11-12,14H2,1H3,(H2,23,25)
InChIKeyFEPZCELQVIKKCX-UHFFFAOYSA-N
XLogP2.78
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.78
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
1-[3-Azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol
CID 154573641
US10308614, Example 6
CID 137029398
2-(6-Amino-5-(piperidin-1-yl)pyridazin-3-yl)phenol
CID 137045907
US10308614, Example 76
CID 137029391
US10308614, Example 27
CID 137029453
1-[3-Amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-one
CID 162659551
CID 171527593
CID 171527593
US10308614, Example 2
CID 137029364
US10308614, Example 53
CID 137029370

Frequently Asked Questions

What is the IUPAC name of [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-phenylmethanone (CID 137029454) is [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-phenylmethanone is CC1CN(c2cc(-c3ccccc3O)nnc2N)CCN1C(=O)c1ccccc1.
What is the InChIKey of [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-phenylmethanone?
The InChIKey is FEPZCELQVIKKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-15-14-26(11-12-27(15)22(29)16-7-3-2-4-8-16)19-13-18(24-25-21(19)23)17-9-5-6-10-20(17)28/h2-10,13,15,28H,11-12,14H2,1H3,(H2,23,25).
What are the key properties of [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-phenylmethanone?
[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-phenylmethanone has a molecular weight of 389.46 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2-methylpiperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 137029454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).