[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

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Related Compounds

3-[(6-Phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)amino]propan-1-ol
CID 44631785
(2-(Imidazo[1,2-b]pyridazin-3-yl)phenyl)methanol
CID 49790546
[4-[3-(3-Pyridyl)imidazo [1,2-b]pyridazin-6-yl]phenyl] methanol
CID 90480158
2-Methyl-4-[4-methyl-3-(7-methyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]butan-2-ol
CID 89968346
US10029993, Example 183
CID 136215068
[1-(6-Phenyl-3-pyridin-2-yl-1,2,4-triazin-5-yl)piperidin-4-yl]methanol
CID 44631786
5-(3-Cyclohexyl-1-pyrrolidinyl)-6-phenyl-3-(2-pyridinyl)-1,2,4-triazine
CID 46742339
[3-(6-Pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]methanol
CID 126672938
4-[3-(4-Pyridyl)imidazo [1,2-b]pyridazin-6-yl]phenyl] methanol
CID 126673139
1-(4-(6-((4-Fluorobenzyl)(methyl)amino)imidazo[1,2-b]pyridazin-3-yl)benzyl)piperidin-4-ol
CID 44580409
[2-[8-(4-Methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanol
CID 172437026
1-{1-[6-(1-methyl-1H-imidazol-2-yl)pyridazin-3-yl]piperidin-4-yl}-2-phenylethanol
CID 56744944

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).