2-[4-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-phenylphenol

C23H26N4O — CID 170442310

IUPAC2-[4-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-phenylphenol
SMILESCc1cc(N[C@H]2CCCN(C)C2)nnc1-c1ccc(-c2ccccc2)cc1O
InChIInChI=1S/C23H26N4O/c1-16-13-22(24-19-9-6-12-27(2)15-19)25-26-23(16)20-11-10-18(14-21(20)28)17-7-4-3-5-8-17/h3-5,7-8,10-11,13-14,19,28H,6,9,12,15H2,1-2H3,(H,24,25)/t19-/m0/s1
InChIKeyLYWVSQMABPXABS-IBGZPJMESA-N
MW374.49 g/mol
LogP4.33
Rot. Bonds4

About 2-[4-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-phenylphenol

2-[4-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-phenylphenol (PubChem CID 170442310) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[4-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-phenylphenol.

Molecular Properties

Compound Name2-[4-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-phenylphenol
PubChem CID170442310
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-[4-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-phenylphenol
SMILESCc1cc(N[C@H]2CCCN(C)C2)nnc1-c1ccc(-c2ccccc2)cc1O
InChIInChI=1S/C23H26N4O/c1-16-13-22(24-19-9-6-12-27(2)15-19)25-26-23(16)20-11-10-18(14-21(20)28)17-7-4-3-5-8-17/h3-5,7-8,10-11,13-14,19,28H,6,9,12,15H2,1-2H3,(H,24,25)/t19-/m0/s1
InChIKeyLYWVSQMABPXABS-IBGZPJMESA-N
XLogP4.33
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-methylsulfonylphenol
CID 170442521
6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-5-ol
CID 164544832
5-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-4-ol
CID 164544830
2-methyl-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-3-(trifluoromethyl)phenol
CID 170381964
5-(4-isocyanophenyl)-2-[4-methyl-6-[[(3R)-1-(oxetan-3-yl)piperidin-3-yl]amino]pyridazin-3-yl]phenol
CID 171586071
6-(4-chloro-2-methoxyphenyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 167137954
5-hydroxy-6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]pyridine-3-carbonitrile
CID 170382205
6-(8-methoxyquinolin-7-yl)-5-methyl-N-[(3S)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 171586094
6-(3-methoxy-4-pyridinyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 167137767
6-(2-methoxy-4-methylsulfonylphenyl)-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]pyridazin-3-amine
CID 171586047
5-(cyclohexen-1-yl)-2-[4-methyl-6-[[(3R)-1-(oxetan-3-yl)piperidin-3-yl]amino]pyridazin-3-yl]phenol
CID 170442606
5-chloro-2-[4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]phenol
CID 170156820

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-phenylphenol?
The IUPAC name of 2-[4-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-phenylphenol (CID 170442310) is 2-[4-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-phenylphenol.
What is the SMILES notation for 2-[4-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-phenylphenol?
The canonical SMILES for 2-[4-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-phenylphenol is Cc1cc(N[C@H]2CCCN(C)C2)nnc1-c1ccc(-c2ccccc2)cc1O.
What is the InChIKey of 2-[4-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-phenylphenol?
The InChIKey is LYWVSQMABPXABS-IBGZPJMESA-N. The full InChI is InChI=1S/C23H26N4O/c1-16-13-22(24-19-9-6-12-27(2)15-19)25-26-23(16)20-11-10-18(14-21(20)28)17-7-4-3-5-8-17/h3-5,7-8,10-11,13-14,19,28H,6,9,12,15H2,1-2H3,(H,24,25)/t19-/m0/s1.
What are the key properties of 2-[4-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-phenylphenol?
2-[4-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-phenylphenol has a molecular weight of 374.49 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-phenylphenol is sourced from PubChem (CID 170442310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).