5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)pyridine-2-carbonitrile

C16H15N7 — CID 155974846

IUPAC5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)pyridine-2-carbonitrile
SMILESN#Cc1ccc(N2CCN(c3ccc4nccn4n3)CC2)cn1
InChIInChI=1S/C16H15N7/c17-11-13-1-2-14(12-19-13)21-7-9-22(10-8-21)16-4-3-15-18-5-6-23(15)20-16/h1-6,12H,7-10H2
InChIKeyCJCYJCXTSJEILY-UHFFFAOYSA-N
MW305.35 g/mol
LogP1.32
Rot. Bonds2

About 5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)pyridine-2-carbonitrile

5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)pyridine-2-carbonitrile (PubChem CID 155974846) has the molecular formula C16H15N7 and a molecular weight of 305.35 g/mol. Its IUPAC name is 5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)pyridine-2-carbonitrile
PubChem CID155974846
Molecular FormulaC16H15N7
Molecular Weight305.35 g/mol
Exact Mass305.14
IUPAC Name5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)pyridine-2-carbonitrile
SMILESN#Cc1ccc(N2CCN(c3ccc4nccn4n3)CC2)cn1
InChIInChI=1S/C16H15N7/c17-11-13-1-2-14(12-19-13)21-7-9-22(10-8-21)16-4-3-15-18-5-6-23(15)20-16/h1-6,12H,7-10H2
InChIKeyCJCYJCXTSJEILY-UHFFFAOYSA-N
XLogP1.32
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)pyridine-2-carbonitrile?
The IUPAC name of 5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)pyridine-2-carbonitrile (CID 155974846) is 5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)pyridine-2-carbonitrile is N#Cc1ccc(N2CCN(c3ccc4nccn4n3)CC2)cn1.
What is the InChIKey of 5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)pyridine-2-carbonitrile?
The InChIKey is CJCYJCXTSJEILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7/c17-11-13-1-2-14(12-19-13)21-7-9-22(10-8-21)16-4-3-15-18-5-6-23(15)20-16/h1-6,12H,7-10H2.
What are the key properties of 5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)pyridine-2-carbonitrile?
5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)pyridine-2-carbonitrile has a molecular weight of 305.35 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 155974846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).