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

C22H21FN6 — CID 25143825

IUPAC2-(4-fluorophenyl)-6-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESC[C@H]1CN(c2ccc3nc(-c4ccc(F)cc4)c(-c4ccncc4)n3n2)CCN1
InChIInChI=1S/C22H21FN6/c1-15-14-28(13-12-25-15)20-7-6-19-26-21(16-2-4-18(23)5-3-16)22(29(19)27-20)17-8-10-24-11-9-17/h2-11,15,25H,12-14H2,1H3/t15-/m0/s1
InChIKeyVZNTWSMEJKWTBX-HNNXBMFYSA-N
MW388.45 g/mol
LogP3.40
Rot. Bonds3

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

2-(4-fluorophenyl)-6-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine (PubChem CID 25143825) has the molecular formula C22H21FN6 and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine
PubChem CID25143825
Molecular FormulaC22H21FN6
Molecular Weight388.45 g/mol
Exact Mass388.18
IUPAC Name2-(4-fluorophenyl)-6-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESC[C@H]1CN(c2ccc3nc(-c4ccc(F)cc4)c(-c4ccncc4)n3n2)CCN1
InChIInChI=1S/C22H21FN6/c1-15-14-28(13-12-25-15)20-7-6-19-26-21(16-2-4-18(23)5-3-16)22(29(19)27-20)17-8-10-24-11-9-17/h2-11,15,25H,12-14H2,1H3/t15-/m0/s1
InChIKeyVZNTWSMEJKWTBX-HNNXBMFYSA-N
XLogP3.40
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 2-(4-fluorophenyl)-6-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine (CID 25143825) is 2-(4-fluorophenyl)-6-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-(4-fluorophenyl)-6-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-(4-fluorophenyl)-6-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine is C[C@H]1CN(c2ccc3nc(-c4ccc(F)cc4)c(-c4ccncc4)n3n2)CCN1.
What is the InChIKey of 2-(4-fluorophenyl)-6-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The InChIKey is VZNTWSMEJKWTBX-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H21FN6/c1-15-14-28(13-12-25-15)20-7-6-19-26-21(16-2-4-18(23)5-3-16)22(29(19)27-20)17-8-10-24-11-9-17/h2-11,15,25H,12-14H2,1H3/t15-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-6-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
2-(4-fluorophenyl)-6-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine has a molecular weight of 388.45 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 25143825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).