5-bromo-2-[6-(3,3,5,5-tetramethylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol

C17H22BrN5O — CID 155287459

IUPAC5-bromo-2-[6-(3,3,5,5-tetramethylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol
SMILESCC1(C)CN(c2ccc(-c3ncc(Br)cc3O)nn2)CC(C)(C)N1
InChIInChI=1S/C17H22BrN5O/c1-16(2)9-23(10-17(3,4)22-16)14-6-5-12(20-21-14)15-13(24)7-11(18)8-19-15/h5-8,22,24H,9-10H2,1-4H3
InChIKeyZXVHBUZSWFWYIC-UHFFFAOYSA-N
MW392.30 g/mol
LogP2.97
Rot. Bonds2

About 5-bromo-2-[6-(3,3,5,5-tetramethylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol

5-bromo-2-[6-(3,3,5,5-tetramethylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol (PubChem CID 155287459) has the molecular formula C17H22BrN5O and a molecular weight of 392.30 g/mol. Its IUPAC name is 5-bromo-2-[6-(3,3,5,5-tetramethylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-bromo-2-[6-(3,3,5,5-tetramethylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol
PubChem CID155287459
Molecular FormulaC17H22BrN5O
Molecular Weight392.30 g/mol
Exact Mass391.10
IUPAC Name5-bromo-2-[6-(3,3,5,5-tetramethylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol
SMILESCC1(C)CN(c2ccc(-c3ncc(Br)cc3O)nn2)CC(C)(C)N1
InChIInChI=1S/C17H22BrN5O/c1-16(2)9-23(10-17(3,4)22-16)14-6-5-12(20-21-14)15-13(24)7-11(18)8-19-15/h5-8,22,24H,9-10H2,1-4H3
InChIKeyZXVHBUZSWFWYIC-UHFFFAOYSA-N
XLogP2.97
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-bromo-2-[6-(3,3,5,5-tetramethylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol with MolForge

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Related Compounds

tert-butyl N-[(3R)-1-[6-(5-bromo-3-hydroxy-2-pyridinyl)pyridazin-3-yl]pyrrolidin-3-yl]-N-methylcarbamate
CID 155287402
2-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol
CID 155287118
5-(1H-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]pyridin-3-ol
CID 155287326
2-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(1-methylindazol-5-yl)pyridin-3-ol
CID 155287188
2-[6-[(3R)-3-ethylpiperidin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol
CID 165053503
2-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;dihydrochloride
CID 155287252
2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-imidazol-1-ylpyridin-3-ol
CID 155287162
5-chloro-2-(3,3,5,5-tetramethylpiperazin-1-yl)pyridin-4-amine
CID 139405515
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
2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-5-(pyridin-4-ylmethylamino)pyridin-3-ol
CID 165038871
2-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]-5-(pyridin-3-ylamino)pyridin-3-ol
CID 165040049
2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol
CID 165068279

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[6-(3,3,5,5-tetramethylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol?
The IUPAC name of 5-bromo-2-[6-(3,3,5,5-tetramethylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol (CID 155287459) is 5-bromo-2-[6-(3,3,5,5-tetramethylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol.
What is the SMILES notation for 5-bromo-2-[6-(3,3,5,5-tetramethylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol?
The canonical SMILES for 5-bromo-2-[6-(3,3,5,5-tetramethylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol is CC1(C)CN(c2ccc(-c3ncc(Br)cc3O)nn2)CC(C)(C)N1.
What is the InChIKey of 5-bromo-2-[6-(3,3,5,5-tetramethylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol?
The InChIKey is ZXVHBUZSWFWYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN5O/c1-16(2)9-23(10-17(3,4)22-16)14-6-5-12(20-21-14)15-13(24)7-11(18)8-19-15/h5-8,22,24H,9-10H2,1-4H3.
What are the key properties of 5-bromo-2-[6-(3,3,5,5-tetramethylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol?
5-bromo-2-[6-(3,3,5,5-tetramethylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol has a molecular weight of 392.30 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[6-(3,3,5,5-tetramethylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol is sourced from PubChem (CID 155287459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).