3-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine

C19H19ClFN5O — CID 16732439

IUPAC3-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine
SMILESCc1nccn1-c1ccc(N2CCC(Oc3cc(F)ccc3Cl)CC2)nn1
InChIInChI=1S/C19H19ClFN5O/c1-13-22-8-11-26(13)19-5-4-18(23-24-19)25-9-6-15(7-10-25)27-17-12-14(21)2-3-16(17)20/h2-5,8,11-12,15H,6-7,9-10H2,1H3
InChIKeyRQGUUHCOORYFQE-UHFFFAOYSA-N
MW387.85 g/mol
LogP3.81
Rot. Bonds4

About 3-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine

3-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine (PubChem CID 16732439) has the molecular formula C19H19ClFN5O and a molecular weight of 387.85 g/mol. Its IUPAC name is 3-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine.

Molecular Properties

Compound Name3-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine
PubChem CID16732439
Molecular FormulaC19H19ClFN5O
Molecular Weight387.85 g/mol
Exact Mass387.13
IUPAC Name3-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine
SMILESCc1nccn1-c1ccc(N2CCC(Oc3cc(F)ccc3Cl)CC2)nn1
InChIInChI=1S/C19H19ClFN5O/c1-13-22-8-11-26(13)19-5-4-18(23-24-19)25-9-6-15(7-10-25)27-17-12-14(21)2-3-16(17)20/h2-5,8,11-12,15H,6-7,9-10H2,1H3
InChIKeyRQGUUHCOORYFQE-UHFFFAOYSA-N
XLogP3.81
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine?
The IUPAC name of 3-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine (CID 16732439) is 3-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine.
What is the SMILES notation for 3-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine?
The canonical SMILES for 3-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine is Cc1nccn1-c1ccc(N2CCC(Oc3cc(F)ccc3Cl)CC2)nn1.
What is the InChIKey of 3-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine?
The InChIKey is RQGUUHCOORYFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN5O/c1-13-22-8-11-26(13)19-5-4-18(23-24-19)25-9-6-15(7-10-25)27-17-12-14(21)2-3-16(17)20/h2-5,8,11-12,15H,6-7,9-10H2,1H3.
What are the key properties of 3-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine?
3-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine has a molecular weight of 387.85 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine is sourced from PubChem (CID 16732439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).