[(6R)-6-(imidazo[1,2-b]pyridazin-6-ylmethyl)-1,4-oxazepan-4-yl]-(1-phenylcyclopentyl)methanone

C24H28N4O2 — CID 124960549

IUPAC[(6R)-6-(imidazo[1,2-b]pyridazin-6-ylmethyl)-1,4-oxazepan-4-yl]-(1-phenylcyclopentyl)methanone
SMILESO=C(N1CCOC[C@H](Cc2ccc3nccn3n2)C1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C24H28N4O2/c29-23(24(10-4-5-11-24)20-6-2-1-3-7-20)27-14-15-30-18-19(17-27)16-21-8-9-22-25-12-13-28(22)26-21/h1-3,6-9,12-13,19H,4-5,10-11,14-18H2/t19-/m1/s1
InChIKeyGVIZEHCRYHSPBE-LJQANCHMSA-N
MW404.51 g/mol
LogP3.26
Rot. Bonds4

About [(6R)-6-(imidazo[1,2-b]pyridazin-6-ylmethyl)-1,4-oxazepan-4-yl]-(1-phenylcyclopentyl)methanone

[(6R)-6-(imidazo[1,2-b]pyridazin-6-ylmethyl)-1,4-oxazepan-4-yl]-(1-phenylcyclopentyl)methanone (PubChem CID 124960549) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is [(6R)-6-(imidazo[1,2-b]pyridazin-6-ylmethyl)-1,4-oxazepan-4-yl]-(1-phenylcyclopentyl)methanone.

Molecular Properties

Compound Name[(6R)-6-(imidazo[1,2-b]pyridazin-6-ylmethyl)-1,4-oxazepan-4-yl]-(1-phenylcyclopentyl)methanone
PubChem CID124960549
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name[(6R)-6-(imidazo[1,2-b]pyridazin-6-ylmethyl)-1,4-oxazepan-4-yl]-(1-phenylcyclopentyl)methanone
SMILESO=C(N1CCOC[C@H](Cc2ccc3nccn3n2)C1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C24H28N4O2/c29-23(24(10-4-5-11-24)20-6-2-1-3-7-20)27-14-15-30-18-19(17-27)16-21-8-9-22-25-12-13-28(22)26-21/h1-3,6-9,12-13,19H,4-5,10-11,14-18H2/t19-/m1/s1
InChIKeyGVIZEHCRYHSPBE-LJQANCHMSA-N
XLogP3.26
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-fluorophenyl)cyclopentyl]-[6-(imidazo[1,2-b]pyridazin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 110149148
[4-(2-fluorophenyl)oxan-4-yl]-[(6S)-6-(imidazo[1,2-b]pyridazin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 125020042
[4-(3,5-dimethylphenyl)oxan-4-yl]-[(6R)-6-(imidazo[1,2-b]pyridazin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124955083
(1-benzyl-4-methylpiperidin-4-yl)-[6-(imidazo[1,2-b]pyridazin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 110151422
(1-phenylcyclopentyl)-[(6S)-6-(pyrazolo[1,5-a]pyridin-4-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124978155
[6-(imidazo[1,2-b]pyridazin-6-ylmethyl)-1,4-oxazepan-4-yl]-pyridazin-4-ylmethanone
CID 110111720
(1-phenylcyclopentyl)-[(6R)-6-(quinolin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124981222
2-[[(6S)-6-(imidazo[1,2-b]pyridazin-6-ylmethyl)-1,4-oxazepan-4-yl]methyl]benzoic acid
CID 125006498
[6-(hydroxymethyl)-1,4-oxazepan-4-yl]-(1-phenylcyclohexyl)methanone
CID 70723981
[(6S)-6-(imidazo[1,2-b]pyridazin-6-ylmethyl)-1,4-oxazepan-4-yl]-(1,3-oxazol-5-yl)methanone
CID 125000500
[(6R)-6-(imidazo[1,2-b]pyridazin-6-ylmethyl)-1,4-oxazepan-4-yl]-(1H-pyrazol-5-yl)methanone
CID 124966101
[1-(2-fluorophenyl)cyclopentyl]-[(6S)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124960652

Frequently Asked Questions

What is the IUPAC name of [(6R)-6-(imidazo[1,2-b]pyridazin-6-ylmethyl)-1,4-oxazepan-4-yl]-(1-phenylcyclopentyl)methanone?
The IUPAC name of [(6R)-6-(imidazo[1,2-b]pyridazin-6-ylmethyl)-1,4-oxazepan-4-yl]-(1-phenylcyclopentyl)methanone (CID 124960549) is [(6R)-6-(imidazo[1,2-b]pyridazin-6-ylmethyl)-1,4-oxazepan-4-yl]-(1-phenylcyclopentyl)methanone.
What is the SMILES notation for [(6R)-6-(imidazo[1,2-b]pyridazin-6-ylmethyl)-1,4-oxazepan-4-yl]-(1-phenylcyclopentyl)methanone?
The canonical SMILES for [(6R)-6-(imidazo[1,2-b]pyridazin-6-ylmethyl)-1,4-oxazepan-4-yl]-(1-phenylcyclopentyl)methanone is O=C(N1CCOC[C@H](Cc2ccc3nccn3n2)C1)C1(c2ccccc2)CCCC1.
What is the InChIKey of [(6R)-6-(imidazo[1,2-b]pyridazin-6-ylmethyl)-1,4-oxazepan-4-yl]-(1-phenylcyclopentyl)methanone?
The InChIKey is GVIZEHCRYHSPBE-LJQANCHMSA-N. The full InChI is InChI=1S/C24H28N4O2/c29-23(24(10-4-5-11-24)20-6-2-1-3-7-20)27-14-15-30-18-19(17-27)16-21-8-9-22-25-12-13-28(22)26-21/h1-3,6-9,12-13,19H,4-5,10-11,14-18H2/t19-/m1/s1.
What are the key properties of [(6R)-6-(imidazo[1,2-b]pyridazin-6-ylmethyl)-1,4-oxazepan-4-yl]-(1-phenylcyclopentyl)methanone?
[(6R)-6-(imidazo[1,2-b]pyridazin-6-ylmethyl)-1,4-oxazepan-4-yl]-(1-phenylcyclopentyl)methanone has a molecular weight of 404.51 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-(imidazo[1,2-b]pyridazin-6-ylmethyl)-1,4-oxazepan-4-yl]-(1-phenylcyclopentyl)methanone is sourced from PubChem (CID 124960549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).