[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol

C22H27N5O — CID 56745745

IUPAC[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
SMILESCc1ccccc1CC1(CO)CCCN(c2ccc(-c3nccn3C)nn2)C1
InChIInChI=1S/C22H27N5O/c1-17-6-3-4-7-18(17)14-22(16-28)10-5-12-27(15-22)20-9-8-19(24-25-20)21-23-11-13-26(21)2/h3-4,6-9,11,13,28H,5,10,12,14-16H2,1-2H3
InChIKeyDGQPABHPEOCQBR-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.01
Rot. Bonds5

About [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol

[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol (PubChem CID 56745745) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
PubChem CID56745745
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
SMILESCc1ccccc1CC1(CO)CCCN(c2ccc(-c3nccn3C)nn2)C1
InChIInChI=1S/C22H27N5O/c1-17-6-3-4-7-18(17)14-22(16-28)10-5-12-27(15-22)20-9-8-19(24-25-20)21-23-11-13-26(21)2/h3-4,6-9,11,13,28H,5,10,12,14-16H2,1-2H3
InChIKeyDGQPABHPEOCQBR-UHFFFAOYSA-N
XLogP3.01
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-[(2-methylphenyl)methyl]piperidin-3-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

Frequently Asked Questions

What is the IUPAC name of [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol (CID 56745745) is [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol is Cc1ccccc1CC1(CO)CCCN(c2ccc(-c3nccn3C)nn2)C1.
What is the InChIKey of [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is DGQPABHPEOCQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-17-6-3-4-7-18(17)14-22(16-28)10-5-12-27(15-22)20-9-8-19(24-25-20)21-23-11-13-26(21)2/h3-4,6-9,11,13,28H,5,10,12,14-16H2,1-2H3.
What are the key properties of [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol?
[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 377.49 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 56745745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).