3-imidazol-1-yl-6-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridazine

C19H21N5O2 — CID 46225462

IUPAC3-imidazol-1-yl-6-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridazine
SMILESCOc1ccccc1OC1CCN(c2ccc(-n3ccnc3)nn2)CC1
InChIInChI=1S/C19H21N5O2/c1-25-16-4-2-3-5-17(16)26-15-8-11-23(12-9-15)18-6-7-19(22-21-18)24-13-10-20-14-24/h2-7,10,13-15H,8-9,11-12H2,1H3
InChIKeyCIKWDDHQAXHMHT-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.72
Rot. Bonds5

About 3-imidazol-1-yl-6-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridazine

3-imidazol-1-yl-6-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridazine (PubChem CID 46225462) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-imidazol-1-yl-6-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridazine.

Molecular Properties

Compound Name3-imidazol-1-yl-6-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridazine
PubChem CID46225462
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name3-imidazol-1-yl-6-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridazine
SMILESCOc1ccccc1OC1CCN(c2ccc(-n3ccnc3)nn2)CC1
InChIInChI=1S/C19H21N5O2/c1-25-16-4-2-3-5-17(16)26-15-8-11-23(12-9-15)18-6-7-19(22-21-18)24-13-10-20-14-24/h2-7,10,13-15H,8-9,11-12H2,1H3
InChIKeyCIKWDDHQAXHMHT-UHFFFAOYSA-N
XLogP2.72
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-6-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridazine?
The IUPAC name of 3-imidazol-1-yl-6-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridazine (CID 46225462) is 3-imidazol-1-yl-6-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridazine.
What is the SMILES notation for 3-imidazol-1-yl-6-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridazine?
The canonical SMILES for 3-imidazol-1-yl-6-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridazine is COc1ccccc1OC1CCN(c2ccc(-n3ccnc3)nn2)CC1.
What is the InChIKey of 3-imidazol-1-yl-6-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridazine?
The InChIKey is CIKWDDHQAXHMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-25-16-4-2-3-5-17(16)26-15-8-11-23(12-9-15)18-6-7-19(22-21-18)24-13-10-20-14-24/h2-7,10,13-15H,8-9,11-12H2,1H3.
What are the key properties of 3-imidazol-1-yl-6-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridazine?
3-imidazol-1-yl-6-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridazine has a molecular weight of 351.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-6-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridazine is sourced from PubChem (CID 46225462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).