[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol

C22H27N5O2 — CID 56759030

IUPAC[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol
SMILESCn1ccnc1-c1ccc(N2CCC(CO)(CCOc3ccccc3)CC2)nn1
InChIInChI=1S/C22H27N5O2/c1-26-15-12-23-21(26)19-7-8-20(25-24-19)27-13-9-22(17-28,10-14-27)11-16-29-18-5-3-2-4-6-18/h2-8,12,15,28H,9-11,13-14,16-17H2,1H3
InChIKeyCPBWVWVPSYMOAS-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.93
Rot. Bonds7

About [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol

[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol (PubChem CID 56759030) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol
PubChem CID56759030
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol
SMILESCn1ccnc1-c1ccc(N2CCC(CO)(CCOc3ccccc3)CC2)nn1
InChIInChI=1S/C22H27N5O2/c1-26-15-12-23-21(26)19-7-8-20(25-24-19)27-13-9-22(17-28,10-14-27)11-16-29-18-5-3-2-4-6-18/h2-8,12,15,28H,9-11,13-14,16-17H2,1H3
InChIKeyCPBWVWVPSYMOAS-UHFFFAOYSA-N
XLogP2.93
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol 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

[(3S)-1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 95221850
[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 56759598
[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 56745745
1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol
CID 56745264
[1-(2,6-diaminopyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol
CID 56760178
[4-(2-phenoxyethyl)-1-[(2S)-1-phenoxypropan-2-yl]piperidin-4-yl]methanol
CID 42566482
[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol
CID 56754374
3-(1-methylimidazol-2-yl)-6-(4-phenoxyphenyl)pyridazine
CID 119066143
[4-(2-phenoxyethyl)-1-(2-phenylethyl)piperidin-4-yl]methanol
CID 126461306
6,7-dimethoxy-1'-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]spiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 163310122
1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone
CID 121113684
(3S,4S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]piperidin-4-ol
CID 155495861

Frequently Asked Questions

What is the IUPAC name of [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol?
The IUPAC name of [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol (CID 56759030) is [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol is Cn1ccnc1-c1ccc(N2CCC(CO)(CCOc3ccccc3)CC2)nn1.
What is the InChIKey of [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol?
The InChIKey is CPBWVWVPSYMOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-26-15-12-23-21(26)19-7-8-20(25-24-19)27-13-9-22(17-28,10-14-27)11-16-29-18-5-3-2-4-6-18/h2-8,12,15,28H,9-11,13-14,16-17H2,1H3.
What are the key properties of [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol?
[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol has a molecular weight of 393.49 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 56759030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).