3-[6-(butylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine

C21H29N7 — CID 53358067

IUPAC3-[6-(butylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCCCCNc1ccc(-c2cnc3ccc(NC4CCN(C)CC4)nn23)cn1
InChIInChI=1S/C21H29N7/c1-3-4-11-22-19-6-5-16(14-23-19)18-15-24-21-8-7-20(26-28(18)21)25-17-9-12-27(2)13-10-17/h5-8,14-15,17H,3-4,9-13H2,1-2H3,(H,22,23)(H,25,26)
InChIKeyVPHYAWVOBAGENA-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.51
Rot. Bonds7

About 3-[6-(butylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine

3-[6-(butylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 53358067) has the molecular formula C21H29N7 and a molecular weight of 379.51 g/mol. Its IUPAC name is 3-[6-(butylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-[6-(butylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID53358067
Molecular FormulaC21H29N7
Molecular Weight379.51 g/mol
Exact Mass379.25
IUPAC Name3-[6-(butylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCCCCNc1ccc(-c2cnc3ccc(NC4CCN(C)CC4)nn23)cn1
InChIInChI=1S/C21H29N7/c1-3-4-11-22-19-6-5-16(14-23-19)18-15-24-21-8-7-20(26-28(18)21)25-17-9-12-27(2)13-10-17/h5-8,14-15,17H,3-4,9-13H2,1-2H3,(H,22,23)(H,25,26)
InChIKeyVPHYAWVOBAGENA-UHFFFAOYSA-N
XLogP3.51
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[6-(butylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine 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

Avapritinib
CID 118023034
Risdiplam
CID 118513932
Savolitinib
CID 68289010
Adipiplon
CID 11198924
Vactosertib
CID 54766013
Amdizalisib
CID 118981804
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
R121919
CID 9821250
(R)-Zinc-3573
CID 95882507
Amredobresib
CID 76072013
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 70984064
1-{6-[(3r)-4,4-Difluoropiperidin-3-Yl]pyridin-2-Yl}-6-(6-Methylpyrazin-2-Yl)-1h-Pyrazolo[4,3-C]pyridine
CID 89914568

Frequently Asked Questions

What is the IUPAC name of 3-[6-(butylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-[6-(butylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine (CID 53358067) is 3-[6-(butylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-[6-(butylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-[6-(butylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine is CCCCNc1ccc(-c2cnc3ccc(NC4CCN(C)CC4)nn23)cn1.
What is the InChIKey of 3-[6-(butylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is VPHYAWVOBAGENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7/c1-3-4-11-22-19-6-5-16(14-23-19)18-15-24-21-8-7-20(26-28(18)21)25-17-9-12-27(2)13-10-17/h5-8,14-15,17H,3-4,9-13H2,1-2H3,(H,22,23)(H,25,26).
What are the key properties of 3-[6-(butylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine?
3-[6-(butylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 379.51 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(butylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 53358067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).