6-[(3S)-3-methylpiperazin-1-yl]-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine

C22H22N6 — CID 25143677

IUPAC6-[(3S)-3-methylpiperazin-1-yl]-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESC[C@H]1CN(c2ccc3nc(-c4ccccc4)c(-c4ccncc4)n3n2)CCN1
InChIInChI=1S/C22H22N6/c1-16-15-27(14-13-24-16)20-8-7-19-25-21(17-5-3-2-4-6-17)22(28(19)26-20)18-9-11-23-12-10-18/h2-12,16,24H,13-15H2,1H3/t16-/m0/s1
InChIKeyFITMIUQFSHIELS-INIZCTEOSA-N
MW370.46 g/mol
LogP3.26
Rot. Bonds3

About 6-[(3S)-3-methylpiperazin-1-yl]-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine

6-[(3S)-3-methylpiperazin-1-yl]-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine (PubChem CID 25143677) has the molecular formula C22H22N6 and a molecular weight of 370.46 g/mol. Its IUPAC name is 6-[(3S)-3-methylpiperazin-1-yl]-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[(3S)-3-methylpiperazin-1-yl]-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine
PubChem CID25143677
Molecular FormulaC22H22N6
Molecular Weight370.46 g/mol
Exact Mass370.19
IUPAC Name6-[(3S)-3-methylpiperazin-1-yl]-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESC[C@H]1CN(c2ccc3nc(-c4ccccc4)c(-c4ccncc4)n3n2)CCN1
InChIInChI=1S/C22H22N6/c1-16-15-27(14-13-24-16)20-8-7-19-25-21(17-5-3-2-4-6-17)22(28(19)26-20)18-9-11-23-12-10-18/h2-12,16,24H,13-15H2,1H3/t16-/m0/s1
InChIKeyFITMIUQFSHIELS-INIZCTEOSA-N
XLogP3.26
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-methylpiperazin-1-yl]-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 6-[(3S)-3-methylpiperazin-1-yl]-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine (CID 25143677) is 6-[(3S)-3-methylpiperazin-1-yl]-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[(3S)-3-methylpiperazin-1-yl]-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[(3S)-3-methylpiperazin-1-yl]-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine is C[C@H]1CN(c2ccc3nc(-c4ccccc4)c(-c4ccncc4)n3n2)CCN1.
What is the InChIKey of 6-[(3S)-3-methylpiperazin-1-yl]-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The InChIKey is FITMIUQFSHIELS-INIZCTEOSA-N. The full InChI is InChI=1S/C22H22N6/c1-16-15-27(14-13-24-16)20-8-7-19-25-21(17-5-3-2-4-6-17)22(28(19)26-20)18-9-11-23-12-10-18/h2-12,16,24H,13-15H2,1H3/t16-/m0/s1.
What are the key properties of 6-[(3S)-3-methylpiperazin-1-yl]-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
6-[(3S)-3-methylpiperazin-1-yl]-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine has a molecular weight of 370.46 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-methylpiperazin-1-yl]-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 25143677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).