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

C18H25N7 — CID 73353993

IUPACN-(1-methylpiperidin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCC(C)n1cc(-c2cnc3ccc(NC4CCN(C)CC4)nn23)cn1
InChIInChI=1S/C18H25N7/c1-13(2)24-12-14(10-20-24)16-11-19-18-5-4-17(22-25(16)18)21-15-6-8-23(3)9-7-15/h4-5,10-13,15H,6-9H2,1-3H3,(H,21,22)
InChIKeyJFVDRPPVGCJXAG-UHFFFAOYSA-N
MW339.45 g/mol
LogP2.68
Rot. Bonds4

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

N-(1-methylpiperidin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 73353993) has the molecular formula C18H25N7 and a molecular weight of 339.45 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID73353993
Molecular FormulaC18H25N7
Molecular Weight339.45 g/mol
Exact Mass339.22
IUPAC NameN-(1-methylpiperidin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCC(C)n1cc(-c2cnc3ccc(NC4CCN(C)CC4)nn23)cn1
InChIInChI=1S/C18H25N7/c1-13(2)24-12-14(10-20-24)16-11-19-18-5-4-17(22-25(16)18)21-15-6-8-23(3)9-7-15/h4-5,10-13,15H,6-9H2,1-3H3,(H,21,22)
InChIKeyJFVDRPPVGCJXAG-UHFFFAOYSA-N
XLogP2.68
TPSA63.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(1-methylpiperidin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine (CID 73353993) is N-(1-methylpiperidin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine is CC(C)n1cc(-c2cnc3ccc(NC4CCN(C)CC4)nn23)cn1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is JFVDRPPVGCJXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7/c1-13(2)24-12-14(10-20-24)16-11-19-18-5-4-17(22-25(16)18)21-15-6-8-23(3)9-7-15/h4-5,10-13,15H,6-9H2,1-3H3,(H,21,22).
What are the key properties of N-(1-methylpiperidin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine?
N-(1-methylpiperidin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 339.45 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 73353993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).