(5S)-5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-(2-methoxyethyl)piperidin-2-one

C19H26N6O3 — CID 126431316

IUPAC(5S)-5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-(2-methoxyethyl)piperidin-2-one
SMILESCOCCN1C[C@@H](C(=O)N2CCN(c3ccc4nccn4n3)CC2)CCC1=O
InChIInChI=1S/C19H26N6O3/c1-28-13-12-24-14-15(2-5-18(24)26)19(27)23-10-8-22(9-11-23)17-4-3-16-20-6-7-25(16)21-17/h3-4,6-7,15H,2,5,8-14H2,1H3/t15-/m0/s1
InChIKeyDQJVSKAMQBUNRB-HNNXBMFYSA-N
MW386.46 g/mol
LogP0.26
Rot. Bonds5

About (5S)-5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-(2-methoxyethyl)piperidin-2-one

(5S)-5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-(2-methoxyethyl)piperidin-2-one (PubChem CID 126431316) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is (5S)-5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-(2-methoxyethyl)piperidin-2-one.

Molecular Properties

Compound Name(5S)-5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-(2-methoxyethyl)piperidin-2-one
PubChem CID126431316
Molecular FormulaC19H26N6O3
Molecular Weight386.46 g/mol
Exact Mass386.21
IUPAC Name(5S)-5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-(2-methoxyethyl)piperidin-2-one
SMILESCOCCN1C[C@@H](C(=O)N2CCN(c3ccc4nccn4n3)CC2)CCC1=O
InChIInChI=1S/C19H26N6O3/c1-28-13-12-24-14-15(2-5-18(24)26)19(27)23-10-8-22(9-11-23)17-4-3-16-20-6-7-25(16)21-17/h3-4,6-7,15H,2,5,8-14H2,1H3/t15-/m0/s1
InChIKeyDQJVSKAMQBUNRB-HNNXBMFYSA-N
XLogP0.26
TPSA83.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5S)-5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-(2-methoxyethyl)piperidin-2-one with MolForge

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Related Compounds

5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-(2-methoxyethyl)piperidin-2-one
CID 119062976
1-[4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 91830679
formic acid;4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one
CID 154904776
5-[4-(2,6-dimethyl-4-pyridinyl)piperazine-1-carbonyl]-1-(2-methoxyethyl)piperidin-2-one
CID 45192162
1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one
CID 119068341
1-(2-methoxyethyl)-4-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 72846613
4-[1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-1-propylpiperazin-2-one
CID 131918848
methyl 1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylate
CID 102569899
(5S)-1-[2-(3-fluorophenyl)ethyl]-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]piperidin-2-one
CID 26332109
1-(2-methoxyethyl)-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110346315
1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-3-morpholin-4-ylbutan-1-one
CID 90650152
1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-ol
CID 131704101

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-(2-methoxyethyl)piperidin-2-one?
The IUPAC name of (5S)-5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-(2-methoxyethyl)piperidin-2-one (CID 126431316) is (5S)-5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-(2-methoxyethyl)piperidin-2-one.
What is the SMILES notation for (5S)-5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-(2-methoxyethyl)piperidin-2-one?
The canonical SMILES for (5S)-5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-(2-methoxyethyl)piperidin-2-one is COCCN1C[C@@H](C(=O)N2CCN(c3ccc4nccn4n3)CC2)CCC1=O.
What is the InChIKey of (5S)-5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-(2-methoxyethyl)piperidin-2-one?
The InChIKey is DQJVSKAMQBUNRB-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-28-13-12-24-14-15(2-5-18(24)26)19(27)23-10-8-22(9-11-23)17-4-3-16-20-6-7-25(16)21-17/h3-4,6-7,15H,2,5,8-14H2,1H3/t15-/m0/s1.
What are the key properties of (5S)-5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-(2-methoxyethyl)piperidin-2-one?
(5S)-5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-(2-methoxyethyl)piperidin-2-one has a molecular weight of 386.46 g/mol, XLogP of 0.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-1-(2-methoxyethyl)piperidin-2-one is sourced from PubChem (CID 126431316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).