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

C21H21N5O2 — CID 137029469

IUPAC[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-phenylmethanone
SMILESNc1nnc(-c2ccccc2O)cc1N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C21H21N5O2/c22-20-18(14-17(23-24-20)16-8-4-5-9-19(16)27)25-10-12-26(13-11-25)21(28)15-6-2-1-3-7-15/h1-9,14,27H,10-13H2,(H2,22,24)
InChIKeyWYJWNCXWBMFJNU-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.39
Rot. Bonds3

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

[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-phenylmethanone (PubChem CID 137029469) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-phenylmethanone
PubChem CID137029469
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-phenylmethanone
SMILESNc1nnc(-c2ccccc2O)cc1N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C21H21N5O2/c22-20-18(14-17(23-24-20)16-8-4-5-9-19(16)27)25-10-12-26(13-11-25)21(28)15-6-2-1-3-7-15/h1-9,14,27H,10-13H2,(H2,22,24)
InChIKeyWYJWNCXWBMFJNU-UHFFFAOYSA-N
XLogP2.39
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.39
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 45
CID 137029366
2-(6-Amino-5-(pyrrolidin-
CID 137029371
US10308614, Example 6
CID 137029398
2-(6-Amino-5-(piperidin-1-yl)pyridazin-3-yl)phenol
CID 137045907
3-[4-[4-[1-[1-[3-Amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carbonyl]piperidine-4-carbonyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 156317674
(3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-3-ol
CID 162668961
N-[4-(6-aminopyridazin-3-yl)phenyl]-N-benzyl-2,4-dihydroxybenzamide
CID 117972733
US10308614, Example 76
CID 137029391

Frequently Asked Questions

What is the IUPAC name of [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-phenylmethanone (CID 137029469) is [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-phenylmethanone is Nc1nnc(-c2ccccc2O)cc1N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-phenylmethanone?
The InChIKey is WYJWNCXWBMFJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c22-20-18(14-17(23-24-20)16-8-4-5-9-19(16)27)25-10-12-26(13-11-25)21(28)15-6-2-1-3-7-15/h1-9,14,27H,10-13H2,(H2,22,24).
What are the key properties of [4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-phenylmethanone?
[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-phenylmethanone has a molecular weight of 375.43 g/mol, XLogP of 2.39, 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]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 137029469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).