oxetan-3-yl 4-(6-pyridin-2-ylpyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate

C20H21N5O3 — CID 145385145

IUPACoxetan-3-yl 4-(6-pyridin-2-ylpyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate
SMILESO=C(OC1COC1)N1CCN(c2ccnn3cc(-c4ccccn4)cc23)CC1
InChIInChI=1S/C20H21N5O3/c26-20(28-16-13-27-14-16)24-9-7-23(8-10-24)18-4-6-22-25-12-15(11-19(18)25)17-3-1-2-5-21-17/h1-6,11-12,16H,7-10,13-14H2
InChIKeyLTCQAITXWNEVQX-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.05
Rot. Bonds3

About oxetan-3-yl 4-(6-pyridin-2-ylpyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate

oxetan-3-yl 4-(6-pyridin-2-ylpyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate (PubChem CID 145385145) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is oxetan-3-yl 4-(6-pyridin-2-ylpyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameoxetan-3-yl 4-(6-pyridin-2-ylpyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate
PubChem CID145385145
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Nameoxetan-3-yl 4-(6-pyridin-2-ylpyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate
SMILESO=C(OC1COC1)N1CCN(c2ccnn3cc(-c4ccccn4)cc23)CC1
InChIInChI=1S/C20H21N5O3/c26-20(28-16-13-27-14-16)24-9-7-23(8-10-24)18-4-6-22-25-12-15(11-19(18)25)17-3-1-2-5-21-17/h1-6,11-12,16H,7-10,13-14H2
InChIKeyLTCQAITXWNEVQX-UHFFFAOYSA-N
XLogP2.05
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl 4-(6-pyridin-2-ylpyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate?
The IUPAC name of oxetan-3-yl 4-(6-pyridin-2-ylpyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate (CID 145385145) is oxetan-3-yl 4-(6-pyridin-2-ylpyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for oxetan-3-yl 4-(6-pyridin-2-ylpyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for oxetan-3-yl 4-(6-pyridin-2-ylpyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate is O=C(OC1COC1)N1CCN(c2ccnn3cc(-c4ccccn4)cc23)CC1.
What is the InChIKey of oxetan-3-yl 4-(6-pyridin-2-ylpyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate?
The InChIKey is LTCQAITXWNEVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c26-20(28-16-13-27-14-16)24-9-7-23(8-10-24)18-4-6-22-25-12-15(11-19(18)25)17-3-1-2-5-21-17/h1-6,11-12,16H,7-10,13-14H2.
What are the key properties of oxetan-3-yl 4-(6-pyridin-2-ylpyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate?
oxetan-3-yl 4-(6-pyridin-2-ylpyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate has a molecular weight of 379.42 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl 4-(6-pyridin-2-ylpyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 145385145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).