3-amino-1-[4-[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]propan-1-one

C25H32N6O3 — CID 137465019

IUPAC3-amino-1-[4-[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]propan-1-one
SMILESCC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1C(=O)CCN
InChIInChI=1S/C25H32N6O3/c1-24(2)12-18(13-25(3,4)31(24)23(33)9-10-26)34-22-8-7-20(29-30-22)19-6-5-16(11-21(19)32)17-14-27-28-15-17/h5-8,11,14-15,18,32H,9-10,12-13,26H2,1-4H3,(H,27,28)
InChIKeyIYJXRVBWBOVLNM-UHFFFAOYSA-N
MW464.57 g/mol
LogP3.52
Rot. Bonds6

About 3-amino-1-[4-[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]propan-1-one

3-amino-1-[4-[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]propan-1-one (PubChem CID 137465019) has the molecular formula C25H32N6O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is 3-amino-1-[4-[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]propan-1-one
PubChem CID137465019
Molecular FormulaC25H32N6O3
Molecular Weight464.57 g/mol
Exact Mass464.25
IUPAC Name3-amino-1-[4-[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]propan-1-one
SMILESCC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1C(=O)CCN
InChIInChI=1S/C25H32N6O3/c1-24(2)12-18(13-25(3,4)31(24)23(33)9-10-26)34-22-8-7-20(29-30-22)19-6-5-16(11-21(19)32)17-14-27-28-15-17/h5-8,11,14-15,18,32H,9-10,12-13,26H2,1-4H3,(H,27,28)
InChIKeyIYJXRVBWBOVLNM-UHFFFAOYSA-N
XLogP3.52
TPSA130.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-amino-1-[4-[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]propan-1-one with MolForge

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Related Compounds

3-amino-1-[(3S,5S)-3-[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]oxy-7-methyl-8-azabicyclo[3.2.1]oct-1(7)-en-8-yl]propan-1-one
CID 155091811
2-[6-[[(1R,3S,5S)-1-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 162666196
5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol
CID 155287326
3-amino-1-[4-[3-fluoropropyl-[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]amino]-2,2,3,3-tetramethylpiperidin-1-yl]propan-1-one
CID 175538376
3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine
CID 129219468
3-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-4-(1H-pyrazol-4-yl)phenol
CID 155024158
6-(1H-pyrazol-4-yl)-3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-1H-pyridin-2-one
CID 129219458
2-[6-[[(2S,3S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 167360526
2-[6-[[(1R,2S,3S,5S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 162372750
2-[6-[[(1S,2R,3R,5R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 162372883
2-[6-[1-hydroxy-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 155025619
2-[6-[[(2R,3S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]oxy]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 167360647

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[4-[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]propan-1-one (CID 137465019) is 3-amino-1-[4-[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[4-[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[4-[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]propan-1-one is CC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1C(=O)CCN.
What is the InChIKey of 3-amino-1-[4-[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]propan-1-one?
The InChIKey is IYJXRVBWBOVLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O3/c1-24(2)12-18(13-25(3,4)31(24)23(33)9-10-26)34-22-8-7-20(29-30-22)19-6-5-16(11-21(19)32)17-14-27-28-15-17/h5-8,11,14-15,18,32H,9-10,12-13,26H2,1-4H3,(H,27,28).
What are the key properties of 3-amino-1-[4-[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]propan-1-one?
3-amino-1-[4-[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]propan-1-one has a molecular weight of 464.57 g/mol, XLogP of 3.52, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]oxy-2,2,6,6-tetramethylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 137465019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).