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

C19H22FN5O3 — CID 142475913

IUPAC3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanone
SMILESCOc1nc(N2CCC(C(=O)N3CCOc4ccncc4C3)CC2)ncc1F
InChIInChI=1S/C19H22FN5O3/c1-27-17-15(20)11-22-19(23-17)24-6-3-13(4-7-24)18(26)25-8-9-28-16-2-5-21-10-14(16)12-25/h2,5,10-11,13H,3-4,6-9,12H2,1H3
InChIKeyKUORBTIWNPJLPO-UHFFFAOYSA-N
MW387.42 g/mol
LogP1.66
Rot. Bonds3

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

3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanone (PubChem CID 142475913) has the molecular formula C19H22FN5O3 and a molecular weight of 387.42 g/mol. Its IUPAC name is 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanone
PubChem CID142475913
Molecular FormulaC19H22FN5O3
Molecular Weight387.42 g/mol
Exact Mass387.17
IUPAC Name3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanone
SMILESCOc1nc(N2CCC(C(=O)N3CCOc4ccncc4C3)CC2)ncc1F
InChIInChI=1S/C19H22FN5O3/c1-27-17-15(20)11-22-19(23-17)24-6-3-13(4-7-24)18(26)25-8-9-28-16-2-5-21-10-14(16)12-25/h2,5,10-11,13H,3-4,6-9,12H2,1H3
InChIKeyKUORBTIWNPJLPO-UHFFFAOYSA-N
XLogP1.66
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanone?
The IUPAC name of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanone (CID 142475913) is 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[1-(5-fluoro-4-methoxypyrimidin-2-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-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanone?
The canonical SMILES for 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanone is COc1nc(N2CCC(C(=O)N3CCOc4ccncc4C3)CC2)ncc1F.
What is the InChIKey of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanone?
The InChIKey is KUORBTIWNPJLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O3/c1-27-17-15(20)11-22-19(23-17)24-6-3-13(4-7-24)18(26)25-8-9-28-16-2-5-21-10-14(16)12-25/h2,5,10-11,13H,3-4,6-9,12H2,1H3.
What are the key properties of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanone?
3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanone has a molecular weight of 387.42 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 7 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-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 142475913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).