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

C19H19F2N7O2 — CID 146443082

IUPAC3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(8-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone
SMILESO=C(N1CCOc2ccncc2C1)C1(F)CCN(c2ncc(F)c3ncnn23)CC1
InChIInChI=1S/C19H19F2N7O2/c20-14-10-23-18(28-16(14)24-12-25-28)26-5-2-19(21,3-6-26)17(29)27-7-8-30-15-1-4-22-9-13(15)11-27/h1,4,9-10,12H,2-3,5-8,11H2
InChIKeyMXCDFILUHWXGCI-UHFFFAOYSA-N
MW415.40 g/mol
LogP1.39
Rot. Bonds2

About 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-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-[4-fluoro-1-(8-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone (PubChem CID 146443082) has the molecular formula C19H19F2N7O2 and a molecular weight of 415.40 g/mol. Its IUPAC name is 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-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-[4-fluoro-1-(8-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone
PubChem CID146443082
Molecular FormulaC19H19F2N7O2
Molecular Weight415.40 g/mol
Exact Mass415.16
IUPAC Name3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(8-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone
SMILESO=C(N1CCOc2ccncc2C1)C1(F)CCN(c2ncc(F)c3ncnn23)CC1
InChIInChI=1S/C19H19F2N7O2/c20-14-10-23-18(28-16(14)24-12-25-28)26-5-2-19(21,3-6-26)17(29)27-7-8-30-15-1-4-22-9-13(15)11-27/h1,4,9-10,12H,2-3,5-8,11H2
InChIKeyMXCDFILUHWXGCI-UHFFFAOYSA-N
XLogP1.39
TPSA88.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-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-[4-fluoro-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-[4-fluoro-1-(8-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone (CID 146443082) is 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-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-[4-fluoro-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-[4-fluoro-1-(8-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone is O=C(N1CCOc2ccncc2C1)C1(F)CCN(c2ncc(F)c3ncnn23)CC1.
What is the InChIKey of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-1-(8-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone?
The InChIKey is MXCDFILUHWXGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N7O2/c20-14-10-23-18(28-16(14)24-12-25-28)26-5-2-19(21,3-6-26)17(29)27-7-8-30-15-1-4-22-9-13(15)11-27/h1,4,9-10,12H,2-3,5-8,11H2.
What are the key properties of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-[4-fluoro-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-[4-fluoro-1-(8-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone has a molecular weight of 415.40 g/mol, XLogP of 1.39, 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-[4-fluoro-1-(8-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 146443082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).