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

C22H24N4O3 — CID 154576445

IUPAC3,4-dihydro-2H-chromen-2-yl-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCc2ccccc2O1)N1CCC(COc2ccc3nccn3n2)CC1
InChIInChI=1S/C22H24N4O3/c27-22(19-6-5-17-3-1-2-4-18(17)29-19)25-12-9-16(10-13-25)15-28-21-8-7-20-23-11-14-26(20)24-21/h1-4,7-8,11,14,16,19H,5-6,9-10,12-13,15H2
InChIKeyODGNEAWVFWBMLP-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.74
Rot. Bonds4

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

3,4-dihydro-2H-chromen-2-yl-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone (PubChem CID 154576445) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-2-yl-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-2-yl-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone
PubChem CID154576445
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name3,4-dihydro-2H-chromen-2-yl-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCc2ccccc2O1)N1CCC(COc2ccc3nccn3n2)CC1
InChIInChI=1S/C22H24N4O3/c27-22(19-6-5-17-3-1-2-4-18(17)29-19)25-12-9-16(10-13-25)15-28-21-8-7-20-23-11-14-26(20)24-21/h1-4,7-8,11,14,16,19H,5-6,9-10,12-13,15H2
InChIKeyODGNEAWVFWBMLP-UHFFFAOYSA-N
XLogP2.74
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-2-yl-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-2-yl-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone (CID 154576445) is 3,4-dihydro-2H-chromen-2-yl-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-2-yl-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-2-yl-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone is O=C(C1CCc2ccccc2O1)N1CCC(COc2ccc3nccn3n2)CC1.
What is the InChIKey of 3,4-dihydro-2H-chromen-2-yl-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone?
The InChIKey is ODGNEAWVFWBMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c27-22(19-6-5-17-3-1-2-4-18(17)29-19)25-12-9-16(10-13-25)15-28-21-8-7-20-23-11-14-26(20)24-21/h1-4,7-8,11,14,16,19H,5-6,9-10,12-13,15H2.
What are the key properties of 3,4-dihydro-2H-chromen-2-yl-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone?
3,4-dihydro-2H-chromen-2-yl-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone has a molecular weight of 392.46 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-2-yl-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 154576445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).