5-chloro-2-[4-methyl-7-[(3R)-1-methylpiperidin-3-yl]imidazo[4,5-c]pyridazin-3-yl]phenol

C18H20ClN5O — CID 172535357

IUPAC5-chloro-2-[4-methyl-7-[(3R)-1-methylpiperidin-3-yl]imidazo[4,5-c]pyridazin-3-yl]phenol
SMILESCc1c(-c2ccc(Cl)cc2O)nnc2c1ncn2[C@@H]1CCCN(C)C1
InChIInChI=1S/C18H20ClN5O/c1-11-16(14-6-5-12(19)8-15(14)25)21-22-18-17(11)20-10-24(18)13-4-3-7-23(2)9-13/h5-6,8,10,13,25H,3-4,7,9H2,1-2H3/t13-/m1/s1
InChIKeyYBJRXYUHWMTTBO-CYBMUJFWSA-N
MW357.85 g/mol
LogP3.43
Rot. Bonds2

About 5-chloro-2-[4-methyl-7-[(3R)-1-methylpiperidin-3-yl]imidazo[4,5-c]pyridazin-3-yl]phenol

5-chloro-2-[4-methyl-7-[(3R)-1-methylpiperidin-3-yl]imidazo[4,5-c]pyridazin-3-yl]phenol (PubChem CID 172535357) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is 5-chloro-2-[4-methyl-7-[(3R)-1-methylpiperidin-3-yl]imidazo[4,5-c]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name5-chloro-2-[4-methyl-7-[(3R)-1-methylpiperidin-3-yl]imidazo[4,5-c]pyridazin-3-yl]phenol
PubChem CID172535357
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC Name5-chloro-2-[4-methyl-7-[(3R)-1-methylpiperidin-3-yl]imidazo[4,5-c]pyridazin-3-yl]phenol
SMILESCc1c(-c2ccc(Cl)cc2O)nnc2c1ncn2[C@@H]1CCCN(C)C1
InChIInChI=1S/C18H20ClN5O/c1-11-16(14-6-5-12(19)8-15(14)25)21-22-18-17(11)20-10-24(18)13-4-3-7-23(2)9-13/h5-6,8,10,13,25H,3-4,7,9H2,1-2H3/t13-/m1/s1
InChIKeyYBJRXYUHWMTTBO-CYBMUJFWSA-N
XLogP3.43
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-methyl-7-[(3R)-1-propan-2-ylpiperidin-3-yl]imidazo[4,5-c]pyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 172535331
2-[7-[(3R)-1-methylpiperidin-3-yl]imidazo[4,5-c]pyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 172535346
5-chloro-2-[4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]phenol
CID 170156820
5-chloro-2-[5-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol
CID 170381656
5-fluoro-2-[4-methyl-7-[(3R)-1-methylpiperidin-3-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]phenol
CID 171826679
2-[6-[1-hydroxy-1-(1-methylpiperidin-3-yl)ethyl]-4,5-dimethylpyridazin-3-yl]-5-methylphenol
CID 170226367
2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyridazin-3-yl]-5-methylphenol
CID 170226371
3-hydroxy-4-[4-methyl-8-[(3S)-1-methylpiperidin-3-yl]-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl]benzonitrile
CID 171826589
3-hydroxy-4-[4-methyl-8-[(3S)-1-methylpiperidin-3-yl]-7-oxo-5,6-dihydropyrido[2,3-c]pyridazin-3-yl]benzonitrile
CID 171826888
6-(4-chloro-2-methoxyphenyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 167137954
1-(1-methylpiperidin-3-yl)benzimidazole-4-carboxylic acid
CID 115543201
2-[4-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-methylsulfonylphenol
CID 170442521

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-methyl-7-[(3R)-1-methylpiperidin-3-yl]imidazo[4,5-c]pyridazin-3-yl]phenol?
The IUPAC name of 5-chloro-2-[4-methyl-7-[(3R)-1-methylpiperidin-3-yl]imidazo[4,5-c]pyridazin-3-yl]phenol (CID 172535357) is 5-chloro-2-[4-methyl-7-[(3R)-1-methylpiperidin-3-yl]imidazo[4,5-c]pyridazin-3-yl]phenol.
What is the SMILES notation for 5-chloro-2-[4-methyl-7-[(3R)-1-methylpiperidin-3-yl]imidazo[4,5-c]pyridazin-3-yl]phenol?
The canonical SMILES for 5-chloro-2-[4-methyl-7-[(3R)-1-methylpiperidin-3-yl]imidazo[4,5-c]pyridazin-3-yl]phenol is Cc1c(-c2ccc(Cl)cc2O)nnc2c1ncn2[C@@H]1CCCN(C)C1.
What is the InChIKey of 5-chloro-2-[4-methyl-7-[(3R)-1-methylpiperidin-3-yl]imidazo[4,5-c]pyridazin-3-yl]phenol?
The InChIKey is YBJRXYUHWMTTBO-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20ClN5O/c1-11-16(14-6-5-12(19)8-15(14)25)21-22-18-17(11)20-10-24(18)13-4-3-7-23(2)9-13/h5-6,8,10,13,25H,3-4,7,9H2,1-2H3/t13-/m1/s1.
What are the key properties of 5-chloro-2-[4-methyl-7-[(3R)-1-methylpiperidin-3-yl]imidazo[4,5-c]pyridazin-3-yl]phenol?
5-chloro-2-[4-methyl-7-[(3R)-1-methylpiperidin-3-yl]imidazo[4,5-c]pyridazin-3-yl]phenol has a molecular weight of 357.85 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-methyl-7-[(3R)-1-methylpiperidin-3-yl]imidazo[4,5-c]pyridazin-3-yl]phenol is sourced from PubChem (CID 172535357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).