[6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone

C25H23F2N5O — CID 170984602

IUPAC[6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CNCCN1C(=O)c1cn2nc(-c3ccc(F)cc3)cc(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C25H23F2N5O/c1-25(2)15-28-11-12-31(25)24(33)22-14-32-23(29-22)20(16-3-7-18(26)8-4-16)13-21(30-32)17-5-9-19(27)10-6-17/h3-10,13-14,28H,11-12,15H2,1-2H3
InChIKeyYVVRSBUHNVKOKP-UHFFFAOYSA-N
MW447.49 g/mol
LogP4.17
Rot. Bonds3

About [6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone

[6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone (PubChem CID 170984602) has the molecular formula C25H23F2N5O and a molecular weight of 447.49 g/mol. Its IUPAC name is [6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone
PubChem CID170984602
Molecular FormulaC25H23F2N5O
Molecular Weight447.49 g/mol
Exact Mass447.19
IUPAC Name[6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CNCCN1C(=O)c1cn2nc(-c3ccc(F)cc3)cc(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C25H23F2N5O/c1-25(2)15-28-11-12-31(25)24(33)22-14-32-23(29-22)20(16-3-7-18(26)8-4-16)13-21(30-32)17-5-9-19(27)10-6-17/h3-10,13-14,28H,11-12,15H2,1-2H3
InChIKeyYVVRSBUHNVKOKP-UHFFFAOYSA-N
XLogP4.17
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone?
The IUPAC name of [6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone (CID 170984602) is [6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for [6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for [6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone is CC1(C)CNCCN1C(=O)c1cn2nc(-c3ccc(F)cc3)cc(-c3ccc(F)cc3)c2n1.
What is the InChIKey of [6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone?
The InChIKey is YVVRSBUHNVKOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O/c1-25(2)15-28-11-12-31(25)24(33)22-14-32-23(29-22)20(16-3-7-18(26)8-4-16)13-21(30-32)17-5-9-19(27)10-6-17/h3-10,13-14,28H,11-12,15H2,1-2H3.
What are the key properties of [6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone?
[6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone has a molecular weight of 447.49 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6,8-bis(4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-(2,2-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 170984602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).