[4-[6-[2-hydroxyethyl(methyl)amino]pyridazin-3-yl]phenyl]-[(3S)-3-methoxypiperidin-1-yl]methanone

C20H26N4O3 — CID 125438286

IUPAC[4-[6-[2-hydroxyethyl(methyl)amino]pyridazin-3-yl]phenyl]-[(3S)-3-methoxypiperidin-1-yl]methanone
SMILESCO[C@H]1CCCN(C(=O)c2ccc(-c3ccc(N(C)CCO)nn3)cc2)C1
InChIInChI=1S/C20H26N4O3/c1-23(12-13-25)19-10-9-18(21-22-19)15-5-7-16(8-6-15)20(26)24-11-3-4-17(14-24)27-2/h5-10,17,25H,3-4,11-14H2,1-2H3/t17-/m0/s1
InChIKeyALUZOQXBBIOQIS-KRWDZBQOSA-N
MW370.45 g/mol
LogP1.82
Rot. Bonds6

About [4-[6-[2-hydroxyethyl(methyl)amino]pyridazin-3-yl]phenyl]-[(3S)-3-methoxypiperidin-1-yl]methanone

[4-[6-[2-hydroxyethyl(methyl)amino]pyridazin-3-yl]phenyl]-[(3S)-3-methoxypiperidin-1-yl]methanone (PubChem CID 125438286) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is [4-[6-[2-hydroxyethyl(methyl)amino]pyridazin-3-yl]phenyl]-[(3S)-3-methoxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[6-[2-hydroxyethyl(methyl)amino]pyridazin-3-yl]phenyl]-[(3S)-3-methoxypiperidin-1-yl]methanone
PubChem CID125438286
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name[4-[6-[2-hydroxyethyl(methyl)amino]pyridazin-3-yl]phenyl]-[(3S)-3-methoxypiperidin-1-yl]methanone
SMILESCO[C@H]1CCCN(C(=O)c2ccc(-c3ccc(N(C)CCO)nn3)cc2)C1
InChIInChI=1S/C20H26N4O3/c1-23(12-13-25)19-10-9-18(21-22-19)15-5-7-16(8-6-15)20(26)24-11-3-4-17(14-24)27-2/h5-10,17,25H,3-4,11-14H2,1-2H3/t17-/m0/s1
InChIKeyALUZOQXBBIOQIS-KRWDZBQOSA-N
XLogP1.82
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[6-[2-hydroxyethyl(methyl)amino]pyridazin-3-yl]phenyl]-[(3S)-3-methoxypiperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-methoxypiperidin-1-yl)-[4-(2-methylsulfanylphenyl)phenyl]methanone
CID 119064304
[(3R)-3-(dimethylamino)piperidin-1-yl]-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methanone
CID 126424546
(3S)-1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidine-3-carboxamide
CID 126446549
[4-(dimethylamino)azepan-1-yl]-[4-[2-hydroxyethyl(methyl)amino]phenyl]methanone
CID 77086648
(E)-3-[4-(3-methoxypiperidine-1-carbonyl)phenyl]prop-2-enoic acid
CID 102964360
4-(3-methoxypiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 113231198
[(3R)-3-methoxypiperidin-1-yl]-[3-[4-(5-methylpyrimidin-2-yl)phenyl]phenyl]methanone
CID 126440210
[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 28956848
(3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone
CID 122545527
(3-amino-4-methoxyphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 102955038
[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-ethoxypiperidin-1-yl)methanone
CID 71863575
(3-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 103644623

Frequently Asked Questions

What is the IUPAC name of [4-[6-[2-hydroxyethyl(methyl)amino]pyridazin-3-yl]phenyl]-[(3S)-3-methoxypiperidin-1-yl]methanone?
The IUPAC name of [4-[6-[2-hydroxyethyl(methyl)amino]pyridazin-3-yl]phenyl]-[(3S)-3-methoxypiperidin-1-yl]methanone (CID 125438286) is [4-[6-[2-hydroxyethyl(methyl)amino]pyridazin-3-yl]phenyl]-[(3S)-3-methoxypiperidin-1-yl]methanone.
What is the SMILES notation for [4-[6-[2-hydroxyethyl(methyl)amino]pyridazin-3-yl]phenyl]-[(3S)-3-methoxypiperidin-1-yl]methanone?
The canonical SMILES for [4-[6-[2-hydroxyethyl(methyl)amino]pyridazin-3-yl]phenyl]-[(3S)-3-methoxypiperidin-1-yl]methanone is CO[C@H]1CCCN(C(=O)c2ccc(-c3ccc(N(C)CCO)nn3)cc2)C1.
What is the InChIKey of [4-[6-[2-hydroxyethyl(methyl)amino]pyridazin-3-yl]phenyl]-[(3S)-3-methoxypiperidin-1-yl]methanone?
The InChIKey is ALUZOQXBBIOQIS-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-23(12-13-25)19-10-9-18(21-22-19)15-5-7-16(8-6-15)20(26)24-11-3-4-17(14-24)27-2/h5-10,17,25H,3-4,11-14H2,1-2H3/t17-/m0/s1.
What are the key properties of [4-[6-[2-hydroxyethyl(methyl)amino]pyridazin-3-yl]phenyl]-[(3S)-3-methoxypiperidin-1-yl]methanone?
[4-[6-[2-hydroxyethyl(methyl)amino]pyridazin-3-yl]phenyl]-[(3S)-3-methoxypiperidin-1-yl]methanone has a molecular weight of 370.45 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[2-hydroxyethyl(methyl)amino]pyridazin-3-yl]phenyl]-[(3S)-3-methoxypiperidin-1-yl]methanone is sourced from PubChem (CID 125438286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).