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

C22H31N7 — CID 71615700

IUPAC3-[2-(3-methylbutylamino)-4-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCC(C)CCNc1cc(-c2cnc3ccc(NC4CCN(C)CC4)nn23)ccn1
InChIInChI=1S/C22H31N7/c1-16(2)6-10-23-21-14-17(7-11-24-21)19-15-25-22-5-4-20(27-29(19)22)26-18-8-12-28(3)13-9-18/h4-5,7,11,14-16,18H,6,8-10,12-13H2,1-3H3,(H,23,24)(H,26,27)
InChIKeyTUZDCRXWMSTOCU-UHFFFAOYSA-N
MW393.54 g/mol
LogP3.76
Rot. Bonds7

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

3-[2-(3-methylbutylamino)-4-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 71615700) has the molecular formula C22H31N7 and a molecular weight of 393.54 g/mol. Its IUPAC name is 3-[2-(3-methylbutylamino)-4-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-[2-(3-methylbutylamino)-4-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID71615700
Molecular FormulaC22H31N7
Molecular Weight393.54 g/mol
Exact Mass393.26
IUPAC Name3-[2-(3-methylbutylamino)-4-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCC(C)CCNc1cc(-c2cnc3ccc(NC4CCN(C)CC4)nn23)ccn1
InChIInChI=1S/C22H31N7/c1-16(2)6-10-23-21-14-17(7-11-24-21)19-15-25-22-5-4-20(27-29(19)22)26-18-8-12-28(3)13-9-18/h4-5,7,11,14-16,18H,6,8-10,12-13H2,1-3H3,(H,23,24)(H,26,27)
InChIKeyTUZDCRXWMSTOCU-UHFFFAOYSA-N
XLogP3.76
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[2-(3-methylbutylamino)-4-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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylbutylamino)-4-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-[2-(3-methylbutylamino)-4-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine (CID 71615700) is 3-[2-(3-methylbutylamino)-4-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-[2-(3-methylbutylamino)-4-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-[2-(3-methylbutylamino)-4-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine is CC(C)CCNc1cc(-c2cnc3ccc(NC4CCN(C)CC4)nn23)ccn1.
What is the InChIKey of 3-[2-(3-methylbutylamino)-4-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is TUZDCRXWMSTOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N7/c1-16(2)6-10-23-21-14-17(7-11-24-21)19-15-25-22-5-4-20(27-29(19)22)26-18-8-12-28(3)13-9-18/h4-5,7,11,14-16,18H,6,8-10,12-13H2,1-3H3,(H,23,24)(H,26,27).
What are the key properties of 3-[2-(3-methylbutylamino)-4-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine?
3-[2-(3-methylbutylamino)-4-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 393.54 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylbutylamino)-4-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 71615700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).