3,5-dimethyl-2-[6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol

C18H24N4O — CID 155284633

IUPAC3,5-dimethyl-2-[6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol
SMILESCc1cc(C)c(-c2ccc(N[C@@H]3CCCN(C)C3)nn2)c(O)c1
InChIInChI=1S/C18H24N4O/c1-12-9-13(2)18(16(23)10-12)15-6-7-17(21-20-15)19-14-5-4-8-22(3)11-14/h6-7,9-10,14,23H,4-5,8,11H2,1-3H3,(H,19,21)/t14-/m1/s1
InChIKeyDSMOQJRIVXDFTL-CQSZACIVSA-N
MW312.42 g/mol
LogP2.97
Rot. Bonds3

About 3,5-dimethyl-2-[6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol

3,5-dimethyl-2-[6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol (PubChem CID 155284633) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 3,5-dimethyl-2-[6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name3,5-dimethyl-2-[6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol
PubChem CID155284633
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name3,5-dimethyl-2-[6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol
SMILESCc1cc(C)c(-c2ccc(N[C@@H]3CCCN(C)C3)nn2)c(O)c1
InChIInChI=1S/C18H24N4O/c1-12-9-13(2)18(16(23)10-12)15-6-7-17(21-20-15)19-14-5-4-8-22(3)11-14/h6-7,9-10,14,23H,4-5,8,11H2,1-3H3,(H,19,21)/t14-/m1/s1
InChIKeyDSMOQJRIVXDFTL-CQSZACIVSA-N
XLogP2.97
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethyl-2-[6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol with MolForge

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Related Compounds

Moxiraprine
CID 71258
(R)-2-(6-((1-Ethylpiperidin-3-yl)amino)pyridazin-3-yl)-3-methyl-5-(trifluoromethyl)phenol
CID 155284649
SMARCA-BD ligand 1 for Protac
CID 137045944
US11208399, Example 4
CID 155284580
US11208399, Example 12
CID 155284666
US11208399, Example 6
CID 155284686
US11208399, Example 53
CID 155284733
2-{6-[2-(8-Aza-bicyclo[3.2.1]oct-8-yl)-ethylamino]-4-methyl-pyridazin-3-yl}-phenol
CID 135525247
5-Fluoro-2-{6-[methyl-(2,2,6,6-tetramethyl-piperidin-4-yl)-amino]-pyridazin-3-yl}-phenol
CID 136253018
3-Hydroxy-4-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)benzonitrile
CID 136253042
3-[6-[Methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol
CID 136253058
Nvs-SM2
CID 136598218

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol?
The IUPAC name of 3,5-dimethyl-2-[6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol (CID 155284633) is 3,5-dimethyl-2-[6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol.
What is the SMILES notation for 3,5-dimethyl-2-[6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol?
The canonical SMILES for 3,5-dimethyl-2-[6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol is Cc1cc(C)c(-c2ccc(N[C@@H]3CCCN(C)C3)nn2)c(O)c1.
What is the InChIKey of 3,5-dimethyl-2-[6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol?
The InChIKey is DSMOQJRIVXDFTL-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N4O/c1-12-9-13(2)18(16(23)10-12)15-6-7-17(21-20-15)19-14-5-4-8-22(3)11-14/h6-7,9-10,14,23H,4-5,8,11H2,1-3H3,(H,19,21)/t14-/m1/s1.
What are the key properties of 3,5-dimethyl-2-[6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol?
3,5-dimethyl-2-[6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol has a molecular weight of 312.42 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol is sourced from PubChem (CID 155284633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).