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

C18H22N6O3 — CID 154576318

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
SMILESCOc1nn(C)cc1C(=O)N1CCC(COc2ccc3nccn3n2)CC1
InChIInChI=1S/C18H22N6O3/c1-22-11-14(17(21-22)26-2)18(25)23-8-5-13(6-9-23)12-27-16-4-3-15-19-7-10-24(15)20-16/h3-4,7,10-11,13H,5-6,8-9,12H2,1-2H3
InChIKeyQOMUWOSBCMGWIM-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.40
Rot. Bonds5

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

[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone (PubChem CID 154576318) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
PubChem CID154576318
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
SMILESCOc1nn(C)cc1C(=O)N1CCC(COc2ccc3nccn3n2)CC1
InChIInChI=1S/C18H22N6O3/c1-22-11-14(17(21-22)26-2)18(25)23-8-5-13(6-9-23)12-27-16-4-3-15-19-7-10-24(15)20-16/h3-4,7,10-11,13H,5-6,8-9,12H2,1-2H3
InChIKeyQOMUWOSBCMGWIM-UHFFFAOYSA-N
XLogP1.40
TPSA86.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone?
The IUPAC name of [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone (CID 154576318) is [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone is COc1nn(C)cc1C(=O)N1CCC(COc2ccc3nccn3n2)CC1.
What is the InChIKey of [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone?
The InChIKey is QOMUWOSBCMGWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-22-11-14(17(21-22)26-2)18(25)23-8-5-13(6-9-23)12-27-16-4-3-15-19-7-10-24(15)20-16/h3-4,7,10-11,13H,5-6,8-9,12H2,1-2H3.
What are the key properties of [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone?
[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone has a molecular weight of 370.41 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 154576318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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