(3,3-difluorocyclobutyl)-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone

C17H20F2N4O2 — CID 154576041

IUPAC(3,3-difluorocyclobutyl)-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone
SMILESO=C(C1CC(F)(F)C1)N1CCC(COc2ccc3nccn3n2)CC1
InChIInChI=1S/C17H20F2N4O2/c18-17(19)9-13(10-17)16(24)22-6-3-12(4-7-22)11-25-15-2-1-14-20-5-8-23(14)21-15/h1-2,5,8,12-13H,3-4,6-7,9-11H2
InChIKeyUXXJBJDUBHWOOA-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.39
Rot. Bonds4

About (3,3-difluorocyclobutyl)-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone

(3,3-difluorocyclobutyl)-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone (PubChem CID 154576041) has the molecular formula C17H20F2N4O2 and a molecular weight of 350.37 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone
PubChem CID154576041
Molecular FormulaC17H20F2N4O2
Molecular Weight350.37 g/mol
Exact Mass350.16
IUPAC Name(3,3-difluorocyclobutyl)-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone
SMILESO=C(C1CC(F)(F)C1)N1CCC(COc2ccc3nccn3n2)CC1
InChIInChI=1S/C17H20F2N4O2/c18-17(19)9-13(10-17)16(24)22-6-3-12(4-7-22)11-25-15-2-1-14-20-5-8-23(14)21-15/h1-2,5,8,12-13H,3-4,6-7,9-11H2
InChIKeyUXXJBJDUBHWOOA-UHFFFAOYSA-N
XLogP2.39
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (3,3-difluorocyclobutyl)-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone (CID 154576041) is (3,3-difluorocyclobutyl)-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,3-difluorocyclobutyl)-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3,3-difluorocyclobutyl)-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone is O=C(C1CC(F)(F)C1)N1CCC(COc2ccc3nccn3n2)CC1.
What is the InChIKey of (3,3-difluorocyclobutyl)-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone?
The InChIKey is UXXJBJDUBHWOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O2/c18-17(19)9-13(10-17)16(24)22-6-3-12(4-7-22)11-25-15-2-1-14-20-5-8-23(14)21-15/h1-2,5,8,12-13H,3-4,6-7,9-11H2.
What are the key properties of (3,3-difluorocyclobutyl)-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone?
(3,3-difluorocyclobutyl)-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone has a molecular weight of 350.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 154576041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).