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

C20H20N6O2 — CID 154576480

IUPAC[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCC(COc2ccc3nccn3n2)CC1
InChIInChI=1S/C20H20N6O2/c27-20(19-15-3-1-2-4-16(15)22-23-19)25-10-7-14(8-11-25)13-28-18-6-5-17-21-9-12-26(17)24-18/h1-6,9,12,14H,7-8,10-11,13H2,(H,22,23)
InChIKeyZVXDOOIMXFCDHH-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.54
Rot. Bonds4

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

[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone (PubChem CID 154576480) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
PubChem CID154576480
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCC(COc2ccc3nccn3n2)CC1
InChIInChI=1S/C20H20N6O2/c27-20(19-15-3-1-2-4-16(15)22-23-19)25-10-7-14(8-11-25)13-28-18-6-5-17-21-9-12-26(17)24-18/h1-6,9,12,14H,7-8,10-11,13H2,(H,22,23)
InChIKeyZVXDOOIMXFCDHH-UHFFFAOYSA-N
XLogP2.54
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(2-methylsulfonylphenyl)methanone
CID 154576433
[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 54878386
[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 154576318
[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(4-morpholin-4-ylphenyl)methanone
CID 154576449
[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 154576272
N-(2-chlorophenyl)-4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidine-1-carboxamide
CID 154576436
1-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-2-indol-1-ylethanone
CID 154576499
3,4-dihydro-2H-chromen-2-yl-[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]methanone
CID 154576445
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 154576322
1H-indazol-3-yl-[4-[[4-methyl-6-(1-methylimidazol-2-yl)pyrimidin-2-yl]methyl]piperidin-1-yl]methanone
CID 110110724
1H-indazol-3-yl-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 91918253

Frequently Asked Questions

What is the IUPAC name of [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone?
The IUPAC name of [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone (CID 154576480) is [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone.
What is the SMILES notation for [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone?
The canonical SMILES for [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone is O=C(c1n[nH]c2ccccc12)N1CCC(COc2ccc3nccn3n2)CC1.
What is the InChIKey of [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone?
The InChIKey is ZVXDOOIMXFCDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c27-20(19-15-3-1-2-4-16(15)22-23-19)25-10-7-14(8-11-25)13-28-18-6-5-17-21-9-12-26(17)24-18/h1-6,9,12,14H,7-8,10-11,13H2,(H,22,23).
What are the key properties of [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone?
[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone has a molecular weight of 376.42 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone is sourced from PubChem (CID 154576480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).