tert-butyl (2S)-2-(imidazo[1,2-b]pyridazin-2-ylmethyl)piperidine-1-carboxylate

C17H24N4O2 — CID 59543947

IUPACtert-butyl (2S)-2-(imidazo[1,2-b]pyridazin-2-ylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1Cc1cn2ncccc2n1
InChIInChI=1S/C17H24N4O2/c1-17(2,3)23-16(22)20-10-5-4-7-14(20)11-13-12-21-15(19-13)8-6-9-18-21/h6,8-9,12,14H,4-5,7,10-11H2,1-3H3/t14-/m0/s1
InChIKeyJOZDQFYSSIIREM-AWEZNQCLSA-N
MW316.40 g/mol
LogP3.06
Rot. Bonds2

About tert-butyl (2S)-2-(imidazo[1,2-b]pyridazin-2-ylmethyl)piperidine-1-carboxylate

tert-butyl (2S)-2-(imidazo[1,2-b]pyridazin-2-ylmethyl)piperidine-1-carboxylate (PubChem CID 59543947) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is tert-butyl (2S)-2-(imidazo[1,2-b]pyridazin-2-ylmethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(imidazo[1,2-b]pyridazin-2-ylmethyl)piperidine-1-carboxylate
PubChem CID59543947
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Nametert-butyl (2S)-2-(imidazo[1,2-b]pyridazin-2-ylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1Cc1cn2ncccc2n1
InChIInChI=1S/C17H24N4O2/c1-17(2,3)23-16(22)20-10-5-4-7-14(20)11-13-12-21-15(19-13)8-6-9-18-21/h6,8-9,12,14H,4-5,7,10-11H2,1-3H3/t14-/m0/s1
InChIKeyJOZDQFYSSIIREM-AWEZNQCLSA-N
XLogP3.06
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(imidazo[1,2-b]pyridazin-2-ylmethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(imidazo[1,2-b]pyridazin-2-ylmethyl)piperidine-1-carboxylate (CID 59543947) is tert-butyl (2S)-2-(imidazo[1,2-b]pyridazin-2-ylmethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(imidazo[1,2-b]pyridazin-2-ylmethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(imidazo[1,2-b]pyridazin-2-ylmethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@H]1Cc1cn2ncccc2n1.
What is the InChIKey of tert-butyl (2S)-2-(imidazo[1,2-b]pyridazin-2-ylmethyl)piperidine-1-carboxylate?
The InChIKey is JOZDQFYSSIIREM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-17(2,3)23-16(22)20-10-5-4-7-14(20)11-13-12-21-15(19-13)8-6-9-18-21/h6,8-9,12,14H,4-5,7,10-11H2,1-3H3/t14-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(imidazo[1,2-b]pyridazin-2-ylmethyl)piperidine-1-carboxylate?
tert-butyl (2S)-2-(imidazo[1,2-b]pyridazin-2-ylmethyl)piperidine-1-carboxylate has a molecular weight of 316.40 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(imidazo[1,2-b]pyridazin-2-ylmethyl)piperidine-1-carboxylate is sourced from PubChem (CID 59543947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).