N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide

C20H22N8O — CID 166179292

IUPACN-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCc1cccc2nc(CNC(=O)C3CCN(c4ccc5nncn5n4)CC3)cn12
InChIInChI=1S/C20H22N8O/c1-14-3-2-4-17-23-16(12-27(14)17)11-21-20(29)15-7-9-26(10-8-15)19-6-5-18-24-22-13-28(18)25-19/h2-6,12-13,15H,7-11H2,1H3,(H,21,29)
InChIKeyMAXVYNNDXGNDIS-UHFFFAOYSA-N
MW390.45 g/mol
LogP1.61
Rot. Bonds4

About N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide

N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide (PubChem CID 166179292) has the molecular formula C20H22N8O and a molecular weight of 390.45 g/mol. Its IUPAC name is N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
PubChem CID166179292
Molecular FormulaC20H22N8O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC NameN-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
SMILESCc1cccc2nc(CNC(=O)C3CCN(c4ccc5nncn5n4)CC3)cn12
InChIInChI=1S/C20H22N8O/c1-14-3-2-4-17-23-16(12-27(14)17)11-21-20(29)15-7-9-26(10-8-15)19-6-5-18-24-22-13-28(18)25-19/h2-6,12-13,15H,7-11H2,1H3,(H,21,29)
InChIKeyMAXVYNNDXGNDIS-UHFFFAOYSA-N
XLogP1.61
TPSA92.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[2-(methoxymethyl)phenyl]methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 32607331
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 56518180
N-(3-chloro-2-methylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 134022752
N-(3-phenylpropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29136292
N-(4-methylphenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 35439068
N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 119882870
N'-(2-methylbenzoyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carbohydrazide
CID 43057127
N-(2-amino-2-phenylethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide;hydrochloride
CID 119528063
N-[[(2R)-oxolan-2-yl]methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29131621
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29138973
N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 55893808
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 55895430

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide (CID 166179292) is N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide is Cc1cccc2nc(CNC(=O)C3CCN(c4ccc5nncn5n4)CC3)cn12.
What is the InChIKey of N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
The InChIKey is MAXVYNNDXGNDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O/c1-14-3-2-4-17-23-16(12-27(14)17)11-21-20(29)15-7-9-26(10-8-15)19-6-5-18-24-22-13-28(18)25-19/h2-6,12-13,15H,7-11H2,1H3,(H,21,29).
What are the key properties of N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?
N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 166179292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).