2-(2-chlorophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine

C21H20ClN7 — CID 70982172

IUPAC2-(2-chlorophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine
SMILESClc1ccccc1-c1ccc2cnc(Nc3cnccc3N3CCNCC3)n2n1
InChIInChI=1S/C21H20ClN7/c22-17-4-2-1-3-16(17)18-6-5-15-13-25-21(29(15)27-18)26-19-14-24-8-7-20(19)28-11-9-23-10-12-28/h1-8,13-14,23H,9-12H2,(H,25,26)
InChIKeyWDENWXDMHCFKSS-UHFFFAOYSA-N
MW405.89 g/mol
LogP3.60
Rot. Bonds4

About 2-(2-chlorophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine

2-(2-chlorophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine (PubChem CID 70982172) has the molecular formula C21H20ClN7 and a molecular weight of 405.89 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine
PubChem CID70982172
Molecular FormulaC21H20ClN7
Molecular Weight405.89 g/mol
Exact Mass405.15
IUPAC Name2-(2-chlorophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine
SMILESClc1ccccc1-c1ccc2cnc(Nc3cnccc3N3CCNCC3)n2n1
InChIInChI=1S/C21H20ClN7/c22-17-4-2-1-3-16(17)18-6-5-15-13-25-21(29(15)27-18)26-19-14-24-8-7-20(19)28-11-9-23-10-12-28/h1-8,13-14,23H,9-12H2,(H,25,26)
InChIKeyWDENWXDMHCFKSS-UHFFFAOYSA-N
XLogP3.60
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine (CID 70982172) is 2-(2-chlorophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine is Clc1ccccc1-c1ccc2cnc(Nc3cnccc3N3CCNCC3)n2n1.
What is the InChIKey of 2-(2-chlorophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine?
The InChIKey is WDENWXDMHCFKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN7/c22-17-4-2-1-3-16(17)18-6-5-15-13-25-21(29(15)27-18)26-19-14-24-8-7-20(19)28-11-9-23-10-12-28/h1-8,13-14,23H,9-12H2,(H,25,26).
What are the key properties of 2-(2-chlorophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine?
2-(2-chlorophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine has a molecular weight of 405.89 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(4-piperazin-1-yl-3-pyridinyl)imidazo[1,5-b]pyridazin-7-amine is sourced from PubChem (CID 70982172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).