8-morpholin-4-yl-3-(6-piperazin-1-yl-3-pyridinyl)-N-(quinolin-2-ylmethyl)imidazo[1,2-b]pyridazin-2-amine

C29H31N9O — CID 86582453

IUPAC8-morpholin-4-yl-3-(6-piperazin-1-yl-3-pyridinyl)-N-(quinolin-2-ylmethyl)imidazo[1,2-b]pyridazin-2-amine
SMILESc1ccc2nc(CNc3nc4c(N5CCOCC5)ccnn4c3-c3ccc(N4CCNCC4)nc3)ccc2c1
InChIInChI=1S/C29H31N9O/c1-2-4-24-21(3-1)5-7-23(34-24)20-32-28-27(22-6-8-26(31-19-22)37-13-11-30-12-14-37)38-29(35-28)25(9-10-33-38)36-15-17-39-18-16-36/h1-10,19,30,32H,11-18,20H2
InChIKeySCUCFVMNUSJZEJ-UHFFFAOYSA-N
MW521.63 g/mol
LogP3.20
Rot. Bonds6

About 8-morpholin-4-yl-3-(6-piperazin-1-yl-3-pyridinyl)-N-(quinolin-2-ylmethyl)imidazo[1,2-b]pyridazin-2-amine

8-morpholin-4-yl-3-(6-piperazin-1-yl-3-pyridinyl)-N-(quinolin-2-ylmethyl)imidazo[1,2-b]pyridazin-2-amine (PubChem CID 86582453) has the molecular formula C29H31N9O and a molecular weight of 521.63 g/mol. Its IUPAC name is 8-morpholin-4-yl-3-(6-piperazin-1-yl-3-pyridinyl)-N-(quinolin-2-ylmethyl)imidazo[1,2-b]pyridazin-2-amine.

Molecular Properties

Compound Name8-morpholin-4-yl-3-(6-piperazin-1-yl-3-pyridinyl)-N-(quinolin-2-ylmethyl)imidazo[1,2-b]pyridazin-2-amine
PubChem CID86582453
Molecular FormulaC29H31N9O
Molecular Weight521.63 g/mol
Exact Mass521.27
IUPAC Name8-morpholin-4-yl-3-(6-piperazin-1-yl-3-pyridinyl)-N-(quinolin-2-ylmethyl)imidazo[1,2-b]pyridazin-2-amine
SMILESc1ccc2nc(CNc3nc4c(N5CCOCC5)ccnn4c3-c3ccc(N4CCNCC4)nc3)ccc2c1
InChIInChI=1S/C29H31N9O/c1-2-4-24-21(3-1)5-7-23(34-24)20-32-28-27(22-6-8-26(31-19-22)37-13-11-30-12-14-37)38-29(35-28)25(9-10-33-38)36-15-17-39-18-16-36/h1-10,19,30,32H,11-18,20H2
InChIKeySCUCFVMNUSJZEJ-UHFFFAOYSA-N
XLogP3.20
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.63
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 8-morpholin-4-yl-3-(6-piperazin-1-yl-3-pyridinyl)-N-(quinolin-2-ylmethyl)imidazo[1,2-b]pyridazin-2-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 8-morpholin-4-yl-3-(6-piperazin-1-yl-3-pyridinyl)-N-(quinolin-2-ylmethyl)imidazo[1,2-b]pyridazin-2-amine?
The IUPAC name of 8-morpholin-4-yl-3-(6-piperazin-1-yl-3-pyridinyl)-N-(quinolin-2-ylmethyl)imidazo[1,2-b]pyridazin-2-amine (CID 86582453) is 8-morpholin-4-yl-3-(6-piperazin-1-yl-3-pyridinyl)-N-(quinolin-2-ylmethyl)imidazo[1,2-b]pyridazin-2-amine.
What is the SMILES notation for 8-morpholin-4-yl-3-(6-piperazin-1-yl-3-pyridinyl)-N-(quinolin-2-ylmethyl)imidazo[1,2-b]pyridazin-2-amine?
The canonical SMILES for 8-morpholin-4-yl-3-(6-piperazin-1-yl-3-pyridinyl)-N-(quinolin-2-ylmethyl)imidazo[1,2-b]pyridazin-2-amine is c1ccc2nc(CNc3nc4c(N5CCOCC5)ccnn4c3-c3ccc(N4CCNCC4)nc3)ccc2c1.
What is the InChIKey of 8-morpholin-4-yl-3-(6-piperazin-1-yl-3-pyridinyl)-N-(quinolin-2-ylmethyl)imidazo[1,2-b]pyridazin-2-amine?
The InChIKey is SCUCFVMNUSJZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N9O/c1-2-4-24-21(3-1)5-7-23(34-24)20-32-28-27(22-6-8-26(31-19-22)37-13-11-30-12-14-37)38-29(35-28)25(9-10-33-38)36-15-17-39-18-16-36/h1-10,19,30,32H,11-18,20H2.
What are the key properties of 8-morpholin-4-yl-3-(6-piperazin-1-yl-3-pyridinyl)-N-(quinolin-2-ylmethyl)imidazo[1,2-b]pyridazin-2-amine?
8-morpholin-4-yl-3-(6-piperazin-1-yl-3-pyridinyl)-N-(quinolin-2-ylmethyl)imidazo[1,2-b]pyridazin-2-amine has a molecular weight of 521.63 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-morpholin-4-yl-3-(6-piperazin-1-yl-3-pyridinyl)-N-(quinolin-2-ylmethyl)imidazo[1,2-b]pyridazin-2-amine is sourced from PubChem (CID 86582453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).