[(4aR,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(2-chloroimidazo[1,2-a]pyridin-3-yl)methanone

C16H19ClN4O2 — CID 129486455

IUPAC[(4aR,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(2-chloroimidazo[1,2-a]pyridin-3-yl)methanone
SMILESCN1CC[C@H]2OCCN(C(=O)c3c(Cl)nc4ccccn34)[C@@H]2C1
InChIInChI=1S/C16H19ClN4O2/c1-19-7-5-12-11(10-19)20(8-9-23-12)16(22)14-15(17)18-13-4-2-3-6-21(13)14/h2-4,6,11-12H,5,7-10H2,1H3/t11-,12-/m1/s1
InChIKeyZJFFYAMHIDBNMN-VXGBXAGGSA-N
MW334.81 g/mol
LogP1.53
Rot. Bonds1

About [(4aR,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(2-chloroimidazo[1,2-a]pyridin-3-yl)methanone

[(4aR,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(2-chloroimidazo[1,2-a]pyridin-3-yl)methanone (PubChem CID 129486455) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is [(4aR,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(2-chloroimidazo[1,2-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[(4aR,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(2-chloroimidazo[1,2-a]pyridin-3-yl)methanone
PubChem CID129486455
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name[(4aR,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(2-chloroimidazo[1,2-a]pyridin-3-yl)methanone
SMILESCN1CC[C@H]2OCCN(C(=O)c3c(Cl)nc4ccccn34)[C@@H]2C1
InChIInChI=1S/C16H19ClN4O2/c1-19-7-5-12-11(10-19)20(8-9-23-12)16(22)14-15(17)18-13-4-2-3-6-21(13)14/h2-4,6,11-12H,5,7-10H2,1H3/t11-,12-/m1/s1
InChIKeyZJFFYAMHIDBNMN-VXGBXAGGSA-N
XLogP1.53
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(4aR,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(2-chloroimidazo[1,2-a]pyridin-3-yl)methanone with MolForge

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Related Compounds

[(4aR,8aS)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone
CID 129346881
[(4aR,8aS)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 129486317
[(4aR,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(3-methylimidazol-4-yl)methanone
CID 129345073
(2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95347227
[(4aR,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(3-methyl-1H-pyrrol-2-yl)methanone
CID 129486187
[(4aS,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(3-methyl-1H-pyrrol-2-yl)methanone
CID 129486185
(2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 95147885
[(4aS,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 129486069
[(4aS,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 129486414
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(3-methylsulfanylimidazo[1,5-a]pyridin-1-yl)methanone
CID 56819945
[(4aR,8aS)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 129485599
2-(1-methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridine-3-carboxylic acid
CID 61357370

Frequently Asked Questions

What is the IUPAC name of [(4aR,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(2-chloroimidazo[1,2-a]pyridin-3-yl)methanone?
The IUPAC name of [(4aR,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(2-chloroimidazo[1,2-a]pyridin-3-yl)methanone (CID 129486455) is [(4aR,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(2-chloroimidazo[1,2-a]pyridin-3-yl)methanone.
What is the SMILES notation for [(4aR,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(2-chloroimidazo[1,2-a]pyridin-3-yl)methanone?
The canonical SMILES for [(4aR,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(2-chloroimidazo[1,2-a]pyridin-3-yl)methanone is CN1CC[C@H]2OCCN(C(=O)c3c(Cl)nc4ccccn34)[C@@H]2C1.
What is the InChIKey of [(4aR,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(2-chloroimidazo[1,2-a]pyridin-3-yl)methanone?
The InChIKey is ZJFFYAMHIDBNMN-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-19-7-5-12-11(10-19)20(8-9-23-12)16(22)14-15(17)18-13-4-2-3-6-21(13)14/h2-4,6,11-12H,5,7-10H2,1H3/t11-,12-/m1/s1.
What are the key properties of [(4aR,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(2-chloroimidazo[1,2-a]pyridin-3-yl)methanone?
[(4aR,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(2-chloroimidazo[1,2-a]pyridin-3-yl)methanone has a molecular weight of 334.81 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(2-chloroimidazo[1,2-a]pyridin-3-yl)methanone is sourced from PubChem (CID 129486455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).