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

C27H36N6O4 — CID 145385144

IUPAC3-ethoxypiperidine;oxetan-3-yl 4-(6-pyridin-2-ylpyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate
SMILESCCOC1CCCNC1.O=C(OC1COC1)N1CCN(c2ccnn3cc(-c4ccccn4)cc23)CC1
InChIInChI=1S/C20H21N5O3.C7H15NO/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;1-2-9-7-4-3-5-8-6-7/h1-6,11-12,16H,7-10,13-14H2;7-8H,2-6H2,1H3
InChIKeyZKEFLCHFZVZMQZ-UHFFFAOYSA-N
MW508.62 g/mol
LogP2.83
Rot. Bonds5

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

3-ethoxypiperidine;oxetan-3-yl 4-(6-pyridin-2-ylpyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate (PubChem CID 145385144) has the molecular formula C27H36N6O4 and a molecular weight of 508.62 g/mol. Its IUPAC name is 3-ethoxypiperidine;oxetan-3-yl 4-(6-pyridin-2-ylpyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Name3-ethoxypiperidine;oxetan-3-yl 4-(6-pyridin-2-ylpyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate
PubChem CID145385144
Molecular FormulaC27H36N6O4
Molecular Weight508.62 g/mol
Exact Mass508.28
IUPAC Name3-ethoxypiperidine;oxetan-3-yl 4-(6-pyridin-2-ylpyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate
SMILESCCOC1CCCNC1.O=C(OC1COC1)N1CCN(c2ccnn3cc(-c4ccccn4)cc23)CC1
InChIInChI=1S/C20H21N5O3.C7H15NO/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;1-2-9-7-4-3-5-8-6-7/h1-6,11-12,16H,7-10,13-14H2;7-8H,2-6H2,1H3
InChIKeyZKEFLCHFZVZMQZ-UHFFFAOYSA-N
XLogP2.83
TPSA93.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.62
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-ethoxypiperidine;oxetan-3-yl 4-(6-pyridin-2-ylpyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperidin-2-yl]methyl N-propan-2-ylcarbamate
CID 164637146
ethyl 4-[6-[4-[(3R)-3-fluoropiperidin-3-yl]phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate
CID 132026036
ethyl 4-[6-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate
CID 132026037
oxetan-3-yl 4-[6-[4-[(3R)-3-fluoropiperidin-3-yl]phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate
CID 132026115
oxetan-3-yl 4-[6-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate
CID 132026119
ethyl 4-[6-[4-[(3S)-3-fluoro-1-propan-2-ylpiperidin-3-yl]phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate
CID 132026168
ethyl 4-[6-[5-[(3R)-3-fluoro-1-propan-2-ylpiperidin-3-yl]-2-pyridinyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate
CID 132026171
ethyl 4-[6-[4-[(3R)-3-fluoro-1-propan-2-ylpiperidin-3-yl]phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate
CID 132026172
ethyl 4-[6-[5-[(3S)-3-fluoro-1-propan-2-ylpiperidin-3-yl]-2-pyridinyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate
CID 132026173
Oxetan-3-yl 4-[6-[2-fluoro-4-(4-methoxypiperidin-4-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate
CID 132026208
oxetan-3-yl 4-[6-[4-[(3R)-3-fluoro-1-propan-2-ylpiperidin-3-yl]phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate
CID 132026249
oxetan-3-yl 4-[6-[4-[(3S)-3-fluoro-1-propan-2-ylpiperidin-3-yl]phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazine-1-carboxylate
CID 132026250

Frequently Asked Questions

What is the IUPAC name of 3-ethoxypiperidine;oxetan-3-yl 4-(6-pyridin-2-ylpyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate?
The IUPAC name of 3-ethoxypiperidine;oxetan-3-yl 4-(6-pyridin-2-ylpyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate (CID 145385144) is 3-ethoxypiperidine;oxetan-3-yl 4-(6-pyridin-2-ylpyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for 3-ethoxypiperidine;oxetan-3-yl 4-(6-pyridin-2-ylpyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for 3-ethoxypiperidine;oxetan-3-yl 4-(6-pyridin-2-ylpyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate is CCOC1CCCNC1.O=C(OC1COC1)N1CCN(c2ccnn3cc(-c4ccccn4)cc23)CC1.
What is the InChIKey of 3-ethoxypiperidine;oxetan-3-yl 4-(6-pyridin-2-ylpyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate?
The InChIKey is ZKEFLCHFZVZMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3.C7H15NO/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;1-2-9-7-4-3-5-8-6-7/h1-6,11-12,16H,7-10,13-14H2;7-8H,2-6H2,1H3.
What are the key properties of 3-ethoxypiperidine;oxetan-3-yl 4-(6-pyridin-2-ylpyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate?
3-ethoxypiperidine;oxetan-3-yl 4-(6-pyridin-2-ylpyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate has a molecular weight of 508.62 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxypiperidine;oxetan-3-yl 4-(6-pyridin-2-ylpyrrolo[1,2-b]pyridazin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 145385144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).