3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[1-(8-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone

C19H20FN7O2 — CID 146443041

IUPAC3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[1-(8-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ncc(F)c3ncnn23)CC1)N1CCOc2ccncc2C1
InChIInChI=1S/C19H20FN7O2/c20-15-10-22-19(27-17(15)23-12-24-27)25-5-2-13(3-6-25)18(28)26-7-8-29-16-1-4-21-9-14(16)11-26/h1,4,9-10,12-13H,2-3,5-8,11H2
InChIKeyMXLBQVPUIFDRAK-UHFFFAOYSA-N
MW397.41 g/mol
LogP1.30
Rot. Bonds2

About 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[1-(8-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone

3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[1-(8-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone (PubChem CID 146443041) has the molecular formula C19H20FN7O2 and a molecular weight of 397.41 g/mol. Its IUPAC name is 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[1-(8-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[1-(8-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone
PubChem CID146443041
Molecular FormulaC19H20FN7O2
Molecular Weight397.41 g/mol
Exact Mass397.17
IUPAC Name3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[1-(8-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ncc(F)c3ncnn23)CC1)N1CCOc2ccncc2C1
InChIInChI=1S/C19H20FN7O2/c20-15-10-22-19(27-17(15)23-12-24-27)25-5-2-13(3-6-25)18(28)26-7-8-29-16-1-4-21-9-14(16)11-26/h1,4,9-10,12-13H,2-3,5-8,11H2
InChIKeyMXLBQVPUIFDRAK-UHFFFAOYSA-N
XLogP1.30
TPSA88.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[1-(8-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[1-(8-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone?
The IUPAC name of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[1-(8-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone (CID 146443041) is 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[1-(8-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone.
What is the SMILES notation for 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[1-(8-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone?
The canonical SMILES for 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[1-(8-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone is O=C(C1CCN(c2ncc(F)c3ncnn23)CC1)N1CCOc2ccncc2C1.
What is the InChIKey of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[1-(8-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone?
The InChIKey is MXLBQVPUIFDRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN7O2/c20-15-10-22-19(27-17(15)23-12-24-27)25-5-2-13(3-6-25)18(28)26-7-8-29-16-1-4-21-9-14(16)11-26/h1,4,9-10,12-13H,2-3,5-8,11H2.
What are the key properties of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[1-(8-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone?
3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[1-(8-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone has a molecular weight of 397.41 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[1-(8-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 146443041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).