6-(1H-pyrazol-4-yl)-3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-1H-pyridin-2-one

C21H26N6O2 — CID 129219458

IUPAC6-(1H-pyrazol-4-yl)-3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-1H-pyridin-2-one
SMILESCC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)[nH]c3=O)nn2)CC(C)(C)N1
InChIInChI=1S/C21H26N6O2/c1-20(2)9-14(10-21(3,4)27-20)29-18-8-7-17(25-26-18)15-5-6-16(24-19(15)28)13-11-22-23-12-13/h5-8,11-12,14,27H,9-10H2,1-4H3,(H,22,23)(H,24,28)
InChIKeyISJRIKSOXSOHTC-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.91
Rot. Bonds4

About 6-(1H-pyrazol-4-yl)-3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-1H-pyridin-2-one

6-(1H-pyrazol-4-yl)-3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-1H-pyridin-2-one (PubChem CID 129219458) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 6-(1H-pyrazol-4-yl)-3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(1H-pyrazol-4-yl)-3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-1H-pyridin-2-one
PubChem CID129219458
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name6-(1H-pyrazol-4-yl)-3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-1H-pyridin-2-one
SMILESCC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)[nH]c3=O)nn2)CC(C)(C)N1
InChIInChI=1S/C21H26N6O2/c1-20(2)9-14(10-21(3,4)27-20)29-18-8-7-17(25-26-18)15-5-6-16(24-19(15)28)13-11-22-23-12-13/h5-8,11-12,14,27H,9-10H2,1-4H3,(H,22,23)(H,24,28)
InChIKeyISJRIKSOXSOHTC-UHFFFAOYSA-N
XLogP2.91
TPSA108.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2,5-difluoro-4-(1H-pyrazol-4-yl)phenyl]-6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazine
CID 129219468
N-methyl-5-[3-(1H-pyrazol-4-yl)phenoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;6-(1H-pyrazol-4-yl)-3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-1H-pyridin-2-one
CID 159089794
5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol
CID 155287326
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
3-methoxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol
CID 137197120
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
2-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-5-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyrazine
CID 139535247
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
6-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]isoquinoline
CID 73293991
[3-hydroxy-4-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenyl] 4-methylbenzenesulfonate
CID 162524848
3-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5H-imidazo[4,5-c]pyridazin-6-one;hydrochloride
CID 156699216
2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol
CID 155287411

Frequently Asked Questions

What is the IUPAC name of 6-(1H-pyrazol-4-yl)-3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-1H-pyridin-2-one?
The IUPAC name of 6-(1H-pyrazol-4-yl)-3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-1H-pyridin-2-one (CID 129219458) is 6-(1H-pyrazol-4-yl)-3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 6-(1H-pyrazol-4-yl)-3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 6-(1H-pyrazol-4-yl)-3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-1H-pyridin-2-one is CC1(C)CC(Oc2ccc(-c3ccc(-c4cn[nH]c4)[nH]c3=O)nn2)CC(C)(C)N1.
What is the InChIKey of 6-(1H-pyrazol-4-yl)-3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-1H-pyridin-2-one?
The InChIKey is ISJRIKSOXSOHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-20(2)9-14(10-21(3,4)27-20)29-18-8-7-17(25-26-18)15-5-6-16(24-19(15)28)13-11-22-23-12-13/h5-8,11-12,14,27H,9-10H2,1-4H3,(H,22,23)(H,24,28).
What are the key properties of 6-(1H-pyrazol-4-yl)-3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-1H-pyridin-2-one?
6-(1H-pyrazol-4-yl)-3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-1H-pyridin-2-one has a molecular weight of 394.48 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-pyrazol-4-yl)-3-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 129219458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).