tert-butyl 4-[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate

C24H28FN5O3 — CID 123301291

IUPACtert-butyl 4-[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate
SMILESCc1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)nc12
InChIInChI=1S/C24H28FN5O3/c1-15-12-19(17-6-8-18(25)9-7-17)27-30-14-20(26-21(15)30)22(31)28-10-11-29(16(2)13-28)23(32)33-24(3,4)5/h6-9,12,14,16H,10-11,13H2,1-5H3
InChIKeyOJIFYFPUTCFXOX-UHFFFAOYSA-N
MW453.52 g/mol
LogP3.93
Rot. Bonds2

About tert-butyl 4-[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate

tert-butyl 4-[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate (PubChem CID 123301291) has the molecular formula C24H28FN5O3 and a molecular weight of 453.52 g/mol. Its IUPAC name is tert-butyl 4-[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate
PubChem CID123301291
Molecular FormulaC24H28FN5O3
Molecular Weight453.52 g/mol
Exact Mass453.22
IUPAC Nametert-butyl 4-[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate
SMILESCc1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)nc12
InChIInChI=1S/C24H28FN5O3/c1-15-12-19(17-6-8-18(25)9-7-17)27-30-14-20(26-21(15)30)22(31)28-10-11-29(16(2)13-28)23(32)33-24(3,4)5/h6-9,12,14,16H,10-11,13H2,1-5H3
InChIKeyOJIFYFPUTCFXOX-UHFFFAOYSA-N
XLogP3.93
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate (CID 123301291) is tert-butyl 4-[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate is Cc1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C(C)C3)nc12.
What is the InChIKey of tert-butyl 4-[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate?
The InChIKey is OJIFYFPUTCFXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O3/c1-15-12-19(17-6-8-18(25)9-7-17)27-30-14-20(26-21(15)30)22(31)28-10-11-29(16(2)13-28)23(32)33-24(3,4)5/h6-9,12,14,16H,10-11,13H2,1-5H3.
What are the key properties of tert-butyl 4-[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate?
tert-butyl 4-[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate has a molecular weight of 453.52 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazine-1-carboxylate is sourced from PubChem (CID 123301291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).