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

C19H19F2N7O2 — CID 142475961

IUPAC(9-fluoro-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)-[(3R)-3-fluoro-1-([1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2nccc3ncnn23)C[C@@H]1F)N1CCOc2c(F)cncc2C1
InChIInChI=1S/C19H19F2N7O2/c20-14-8-22-7-12-9-26(5-6-30-17(12)14)18(29)13-2-4-27(10-15(13)21)19-23-3-1-16-24-11-25-28(16)19/h1,3,7-8,11,13,15H,2,4-6,9-10H2/t13?,15-/m0/s1
InChIKeyQQTIYQHZYTXWTL-WUJWULDRSA-N
MW415.40 g/mol
LogP1.24
Rot. Bonds2

About (9-fluoro-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)-[(3R)-3-fluoro-1-([1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone

(9-fluoro-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)-[(3R)-3-fluoro-1-([1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone (PubChem CID 142475961) has the molecular formula C19H19F2N7O2 and a molecular weight of 415.40 g/mol. Its IUPAC name is (9-fluoro-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)-[(3R)-3-fluoro-1-([1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(9-fluoro-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)-[(3R)-3-fluoro-1-([1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone
PubChem CID142475961
Molecular FormulaC19H19F2N7O2
Molecular Weight415.40 g/mol
Exact Mass415.16
IUPAC Name(9-fluoro-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)-[(3R)-3-fluoro-1-([1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2nccc3ncnn23)C[C@@H]1F)N1CCOc2c(F)cncc2C1
InChIInChI=1S/C19H19F2N7O2/c20-14-8-22-7-12-9-26(5-6-30-17(12)14)18(29)13-2-4-27(10-15(13)21)19-23-3-1-16-24-11-25-28(16)19/h1,3,7-8,11,13,15H,2,4-6,9-10H2/t13?,15-/m0/s1
InChIKeyQQTIYQHZYTXWTL-WUJWULDRSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (9-fluoro-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)-[(3R)-3-fluoro-1-([1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (9-fluoro-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)-[(3R)-3-fluoro-1-([1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone?
The IUPAC name of (9-fluoro-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)-[(3R)-3-fluoro-1-([1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone (CID 142475961) is (9-fluoro-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)-[(3R)-3-fluoro-1-([1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone.
What is the SMILES notation for (9-fluoro-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)-[(3R)-3-fluoro-1-([1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone?
The canonical SMILES for (9-fluoro-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)-[(3R)-3-fluoro-1-([1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone is O=C(C1CCN(c2nccc3ncnn23)C[C@@H]1F)N1CCOc2c(F)cncc2C1.
What is the InChIKey of (9-fluoro-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)-[(3R)-3-fluoro-1-([1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone?
The InChIKey is QQTIYQHZYTXWTL-WUJWULDRSA-N. The full InChI is InChI=1S/C19H19F2N7O2/c20-14-8-22-7-12-9-26(5-6-30-17(12)14)18(29)13-2-4-27(10-15(13)21)19-23-3-1-16-24-11-25-28(16)19/h1,3,7-8,11,13,15H,2,4-6,9-10H2/t13?,15-/m0/s1.
What are the key properties of (9-fluoro-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)-[(3R)-3-fluoro-1-([1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone?
(9-fluoro-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)-[(3R)-3-fluoro-1-([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 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (9-fluoro-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)-[(3R)-3-fluoro-1-([1,2,4]triazolo[1,5-c]pyrimidin-5-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 142475961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).