2-[2-[2-[(imidazo[1,2-b]pyridazin-6-ylamino)methyl]piperidin-1-yl]ethyl]pyridazin-3-one

C18H23N7O — CID 126937517

IUPAC2-[2-[2-[(imidazo[1,2-b]pyridazin-6-ylamino)methyl]piperidin-1-yl]ethyl]pyridazin-3-one
SMILESO=c1cccnn1CCN1CCCCC1CNc1ccc2nccn2n1
InChIInChI=1S/C18H23N7O/c26-18-5-3-8-21-25(18)13-12-23-10-2-1-4-15(23)14-20-16-6-7-17-19-9-11-24(17)22-16/h3,5-9,11,15H,1-2,4,10,12-14H2,(H,20,22)
InChIKeyHFDBAYPEKSDWFI-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.25
Rot. Bonds6

About 2-[2-[2-[(imidazo[1,2-b]pyridazin-6-ylamino)methyl]piperidin-1-yl]ethyl]pyridazin-3-one

2-[2-[2-[(imidazo[1,2-b]pyridazin-6-ylamino)methyl]piperidin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126937517) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-[2-[2-[(imidazo[1,2-b]pyridazin-6-ylamino)methyl]piperidin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[2-[(imidazo[1,2-b]pyridazin-6-ylamino)methyl]piperidin-1-yl]ethyl]pyridazin-3-one
PubChem CID126937517
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name2-[2-[2-[(imidazo[1,2-b]pyridazin-6-ylamino)methyl]piperidin-1-yl]ethyl]pyridazin-3-one
SMILESO=c1cccnn1CCN1CCCCC1CNc1ccc2nccn2n1
InChIInChI=1S/C18H23N7O/c26-18-5-3-8-21-25(18)13-12-23-10-2-1-4-15(23)14-20-16-6-7-17-19-9-11-24(17)22-16/h3,5-9,11,15H,1-2,4,10,12-14H2,(H,20,22)
InChIKeyHFDBAYPEKSDWFI-UHFFFAOYSA-N
XLogP1.25
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[2-[2-[(imidazo[1,2-b]pyridazin-6-ylamino)methyl]piperidin-1-yl]ethyl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-6-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyrimidin-4-one
CID 126937568
2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937509
3-methyl-2-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one
CID 126937584
2-[2-[2-[([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126938050
2-[[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923176
5-methyl-N-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 126937418
5-methyl-N-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 126937456
6-tert-butyl-2-[2-[2-[[(2-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937892
6-methyl-2-[2-[2-[[(5-methylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937746
6-tert-butyl-2-[2-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937891
6-tert-butyl-2-[2-[2-[[(6-methylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937882
2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one
CID 126937711

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(imidazo[1,2-b]pyridazin-6-ylamino)methyl]piperidin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-[2-[(imidazo[1,2-b]pyridazin-6-ylamino)methyl]piperidin-1-yl]ethyl]pyridazin-3-one (CID 126937517) is 2-[2-[2-[(imidazo[1,2-b]pyridazin-6-ylamino)methyl]piperidin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-[2-[(imidazo[1,2-b]pyridazin-6-ylamino)methyl]piperidin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-[2-[(imidazo[1,2-b]pyridazin-6-ylamino)methyl]piperidin-1-yl]ethyl]pyridazin-3-one is O=c1cccnn1CCN1CCCCC1CNc1ccc2nccn2n1.
What is the InChIKey of 2-[2-[2-[(imidazo[1,2-b]pyridazin-6-ylamino)methyl]piperidin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is HFDBAYPEKSDWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c26-18-5-3-8-21-25(18)13-12-23-10-2-1-4-15(23)14-20-16-6-7-17-19-9-11-24(17)22-16/h3,5-9,11,15H,1-2,4,10,12-14H2,(H,20,22).
What are the key properties of 2-[2-[2-[(imidazo[1,2-b]pyridazin-6-ylamino)methyl]piperidin-1-yl]ethyl]pyridazin-3-one?
2-[2-[2-[(imidazo[1,2-b]pyridazin-6-ylamino)methyl]piperidin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 353.43 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(imidazo[1,2-b]pyridazin-6-ylamino)methyl]piperidin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126937517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).