[4-(quinolin-8-ylmethyl)piperazin-1-yl]-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone

C25H28N8O — CID 55585765

IUPAC[4-(quinolin-8-ylmethyl)piperazin-1-yl]-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ccc3nncn3n2)CC1)N1CCN(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C25H28N8O/c34-25(20-8-11-31(12-9-20)23-7-6-22-28-27-18-33(22)29-23)32-15-13-30(14-16-32)17-21-4-1-3-19-5-2-10-26-24(19)21/h1-7,10,18,20H,8-9,11-17H2
InChIKeyHLQCGEOOUYHZCG-UHFFFAOYSA-N
MW456.55 g/mol
LogP2.23
Rot. Bonds4

About [4-(quinolin-8-ylmethyl)piperazin-1-yl]-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone

[4-(quinolin-8-ylmethyl)piperazin-1-yl]-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone (PubChem CID 55585765) has the molecular formula C25H28N8O and a molecular weight of 456.55 g/mol. Its IUPAC name is [4-(quinolin-8-ylmethyl)piperazin-1-yl]-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(quinolin-8-ylmethyl)piperazin-1-yl]-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone
PubChem CID55585765
Molecular FormulaC25H28N8O
Molecular Weight456.55 g/mol
Exact Mass456.24
IUPAC Name[4-(quinolin-8-ylmethyl)piperazin-1-yl]-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ccc3nncn3n2)CC1)N1CCN(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C25H28N8O/c34-25(20-8-11-31(12-9-20)23-7-6-22-28-27-18-33(22)29-23)32-15-13-30(14-16-32)17-21-4-1-3-19-5-2-10-26-24(19)21/h1-7,10,18,20H,8-9,11-17H2
InChIKeyHLQCGEOOUYHZCG-UHFFFAOYSA-N
XLogP2.23
TPSA82.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [4-(quinolin-8-ylmethyl)piperazin-1-yl]-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone with MolForge

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Related Compounds

(4-benzyl-1,4-diazepan-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone
CID 30828730
1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63031197
2-phenyl-1-[3-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 55616121
N'-hydroxy-1-(quinolin-8-ylmethyl)piperidine-4-carboximidamide
CID 77038510
N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]quinoline-8-sulfonamide
CID 121022914
piperidin-3-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone
CID 119879754
8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 17451460
[4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-yl]-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone
CID 43057334
8-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]quinoline
CID 18168047
N-(2-chlorophenyl)-4-(quinolin-8-ylmethyl)piperazine-1-carboxamide
CID 55696987
(4R)-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 94613605
1-(quinolin-8-ylmethyl)piperidine-3-carboxylic acid
CID 43440675

Frequently Asked Questions

What is the IUPAC name of [4-(quinolin-8-ylmethyl)piperazin-1-yl]-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone?
The IUPAC name of [4-(quinolin-8-ylmethyl)piperazin-1-yl]-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone (CID 55585765) is [4-(quinolin-8-ylmethyl)piperazin-1-yl]-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-(quinolin-8-ylmethyl)piperazin-1-yl]-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone?
The canonical SMILES for [4-(quinolin-8-ylmethyl)piperazin-1-yl]-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone is O=C(C1CCN(c2ccc3nncn3n2)CC1)N1CCN(Cc2cccc3cccnc23)CC1.
What is the InChIKey of [4-(quinolin-8-ylmethyl)piperazin-1-yl]-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone?
The InChIKey is HLQCGEOOUYHZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O/c34-25(20-8-11-31(12-9-20)23-7-6-22-28-27-18-33(22)29-23)32-15-13-30(14-16-32)17-21-4-1-3-19-5-2-10-26-24(19)21/h1-7,10,18,20H,8-9,11-17H2.
What are the key properties of [4-(quinolin-8-ylmethyl)piperazin-1-yl]-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone?
[4-(quinolin-8-ylmethyl)piperazin-1-yl]-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone has a molecular weight of 456.55 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(quinolin-8-ylmethyl)piperazin-1-yl]-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 55585765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).