2-[6-amino-5-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol

C21H27N7O — CID 137045975

IUPAC2-[6-amino-5-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol
SMILESCC(C)n1cc(CN2CCN(c3cc(-c4ccccc4O)nnc3N)CC2)cn1
InChIInChI=1S/C21H27N7O/c1-15(2)28-14-16(12-23-28)13-26-7-9-27(10-8-26)19-11-18(24-25-21(19)22)17-5-3-4-6-20(17)29/h3-6,11-12,14-15,29H,7-10,13H2,1-2H3,(H2,22,25)
InChIKeyCXARMQHIABHRMS-UHFFFAOYSA-N
MW393.50 g/mol
LogP2.53
Rot. Bonds5

About 2-[6-amino-5-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol

2-[6-amino-5-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol (PubChem CID 137045975) has the molecular formula C21H27N7O and a molecular weight of 393.50 g/mol. Its IUPAC name is 2-[6-amino-5-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol
PubChem CID137045975
Molecular FormulaC21H27N7O
Molecular Weight393.50 g/mol
Exact Mass393.23
IUPAC Name2-[6-amino-5-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol
SMILESCC(C)n1cc(CN2CCN(c3cc(-c4ccccc4O)nnc3N)CC2)cn1
InChIInChI=1S/C21H27N7O/c1-15(2)28-14-16(12-23-28)13-26-7-9-27(10-8-26)19-11-18(24-25-21(19)22)17-5-3-4-6-20(17)29/h3-6,11-12,14-15,29H,7-10,13H2,1-2H3,(H2,22,25)
InChIKeyCXARMQHIABHRMS-UHFFFAOYSA-N
XLogP2.53
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[6-amino-5-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol with MolForge

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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
2-[6-[[(1R,2S,3S,5S)-2-fluoro-1-methyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 162644974
2-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)-5-(1H-pyrazol-1-yl)phenol
CID 136253041
5-(3-amino-1H-pyrazol-1-yl)-2-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)phenol
CID 136377142
5-[4-(Hydroxymethyl)pyrazol-1-yl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
CID 136598247
US10308614, Example 45
CID 137029366
SMARCA2/4-ligand-6
CID 137029367
2-(6-Amino-5-(pyrrolidin-
CID 137029371
US10308614, Example 6
CID 137029398

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol (CID 137045975) is 2-[6-amino-5-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol is CC(C)n1cc(CN2CCN(c3cc(-c4ccccc4O)nnc3N)CC2)cn1.
What is the InChIKey of 2-[6-amino-5-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol?
The InChIKey is CXARMQHIABHRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O/c1-15(2)28-14-16(12-23-28)13-26-7-9-27(10-8-26)19-11-18(24-25-21(19)22)17-5-3-4-6-20(17)29/h3-6,11-12,14-15,29H,7-10,13H2,1-2H3,(H2,22,25).
What are the key properties of 2-[6-amino-5-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol?
2-[6-amino-5-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol has a molecular weight of 393.50 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyridazin-3-yl]phenol is sourced from PubChem (CID 137045975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).