1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol

C19H22N6O — CID 56745264

IUPAC1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol
SMILESCc1ccc(C2(O)CCN(c3ccc(-c4nccn4C)nn3)CC2)nc1
InChIInChI=1S/C19H22N6O/c1-14-3-5-16(21-13-14)19(26)7-10-25(11-8-19)17-6-4-15(22-23-17)18-20-9-12-24(18)2/h3-6,9,12-13,26H,7-8,10-11H2,1-2H3
InChIKeyMASUUVCOOKWRIF-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.07
Rot. Bonds3

About 1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol

1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol (PubChem CID 56745264) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol
PubChem CID56745264
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol
SMILESCc1ccc(C2(O)CCN(c3ccc(-c4nccn4C)nn3)CC2)nc1
InChIInChI=1S/C19H22N6O/c1-14-3-5-16(21-13-14)19(26)7-10-25(11-8-19)17-6-4-15(22-23-17)18-20-9-12-24(18)2/h3-6,9,12-13,26H,7-8,10-11H2,1-2H3
InChIKeyMASUUVCOOKWRIF-UHFFFAOYSA-N
XLogP2.07
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol?
The IUPAC name of 1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol (CID 56745264) is 1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol.
What is the SMILES notation for 1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol?
The canonical SMILES for 1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol is Cc1ccc(C2(O)CCN(c3ccc(-c4nccn4C)nn3)CC2)nc1.
What is the InChIKey of 1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol?
The InChIKey is MASUUVCOOKWRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-14-3-5-16(21-13-14)19(26)7-10-25(11-8-19)17-6-4-15(22-23-17)18-20-9-12-24(18)2/h3-6,9,12-13,26H,7-8,10-11H2,1-2H3.
What are the key properties of 1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol?
1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-4-(5-methyl-2-pyridinyl)piperidin-4-ol has a molecular weight of 350.43 g/mol, XLogP of 2.07, 3 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-(5-methyl-2-pyridinyl)piperidin-4-ol is sourced from PubChem (CID 56745264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).