tert-butyl 4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazine-1-carboxylate

C26H32FN5O3 — CID 123214436

IUPACtert-butyl 4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazine-1-carboxylate
SMILESCC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3C)nc12
InChIInChI=1S/C26H32FN5O3/c1-16(2)20-13-21(18-7-9-19(27)10-8-18)29-32-15-22(28-23(20)32)24(33)31-12-11-30(14-17(31)3)25(34)35-26(4,5)6/h7-10,13,15-17H,11-12,14H2,1-6H3
InChIKeyRHGQWQZFBVFCFO-UHFFFAOYSA-N
MW481.57 g/mol
LogP4.74
Rot. Bonds3

About tert-butyl 4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazine-1-carboxylate

tert-butyl 4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazine-1-carboxylate (PubChem CID 123214436) has the molecular formula C26H32FN5O3 and a molecular weight of 481.57 g/mol. Its IUPAC name is tert-butyl 4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazine-1-carboxylate
PubChem CID123214436
Molecular FormulaC26H32FN5O3
Molecular Weight481.57 g/mol
Exact Mass481.25
IUPAC Nametert-butyl 4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazine-1-carboxylate
SMILESCC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3C)nc12
InChIInChI=1S/C26H32FN5O3/c1-16(2)20-13-21(18-7-9-19(27)10-8-18)29-32-15-22(28-23(20)32)24(33)31-12-11-30(14-17(31)3)25(34)35-26(4,5)6/h7-10,13,15-17H,11-12,14H2,1-6H3
InChIKeyRHGQWQZFBVFCFO-UHFFFAOYSA-N
XLogP4.74
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazine-1-carboxylate (CID 123214436) is tert-butyl 4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazine-1-carboxylate is CC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3C)nc12.
What is the InChIKey of tert-butyl 4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazine-1-carboxylate?
The InChIKey is RHGQWQZFBVFCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O3/c1-16(2)20-13-21(18-7-9-19(27)10-8-18)29-32-15-22(28-23(20)32)24(33)31-12-11-30(14-17(31)3)25(34)35-26(4,5)6/h7-10,13,15-17H,11-12,14H2,1-6H3.
What are the key properties of tert-butyl 4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazine-1-carboxylate?
tert-butyl 4-[6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazine-1-carboxylate has a molecular weight of 481.57 g/mol, XLogP of 4.74, 3 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-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3-methylpiperazine-1-carboxylate is sourced from PubChem (CID 123214436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).