3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(4-fluoro-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone

C20H21FN6O2 — CID 146443116

IUPAC3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(4-fluoro-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone
SMILESO=C(N1CCOc2ccncc2C1)C1(F)CCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C20H21FN6O2/c21-20(19(28)26-11-12-29-16-1-6-22-13-15(16)14-26)4-9-25(10-5-20)18-3-7-23-17-2-8-24-27(17)18/h1-3,6-8,13H,4-5,9-12,14H2
InChIKeyAAJFNGAPDQFWAB-UHFFFAOYSA-N
MW396.43 g/mol
LogP1.85
Rot. Bonds2

About 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(4-fluoro-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone

3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(4-fluoro-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone (PubChem CID 146443116) has the molecular formula C20H21FN6O2 and a molecular weight of 396.43 g/mol. Its IUPAC name is 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(4-fluoro-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(4-fluoro-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone
PubChem CID146443116
Molecular FormulaC20H21FN6O2
Molecular Weight396.43 g/mol
Exact Mass396.17
IUPAC Name3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(4-fluoro-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone
SMILESO=C(N1CCOc2ccncc2C1)C1(F)CCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C20H21FN6O2/c21-20(19(28)26-11-12-29-16-1-6-22-13-15(16)14-26)4-9-25(10-5-20)18-3-7-23-17-2-8-24-27(17)18/h1-3,6-8,13H,4-5,9-12,14H2
InChIKeyAAJFNGAPDQFWAB-UHFFFAOYSA-N
XLogP1.85
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(4-fluoro-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-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 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(4-fluoro-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone?
The IUPAC name of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(4-fluoro-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone (CID 146443116) is 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(4-fluoro-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-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-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone?
The canonical SMILES for 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(4-fluoro-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone is O=C(N1CCOc2ccncc2C1)C1(F)CCN(c2ccnc3ccnn23)CC1.
What is the InChIKey of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(4-fluoro-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone?
The InChIKey is AAJFNGAPDQFWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O2/c21-20(19(28)26-11-12-29-16-1-6-22-13-15(16)14-26)4-9-25(10-5-20)18-3-7-23-17-2-8-24-27(17)18/h1-3,6-8,13H,4-5,9-12,14H2.
What are the key properties of 3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(4-fluoro-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone?
3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl-(4-fluoro-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone has a molecular weight of 396.43 g/mol, XLogP of 1.85, 2 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-(4-fluoro-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 146443116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).