(3,3-difluoro-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)-(9-fluoro-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)methanone

C20H19F3N6O2 — CID 142475949

IUPAC(3,3-difluoro-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)-(9-fluoro-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)methanone
SMILESO=C(C1CCN(c2ccnc3ccnn23)CC1(F)F)N1CCOc2c(F)cncc2C1
InChIInChI=1S/C20H19F3N6O2/c21-15-10-24-9-13-11-27(7-8-31-18(13)15)19(30)14-3-6-28(12-20(14,22)23)17-2-4-25-16-1-5-26-29(16)17/h1-2,4-5,9-10,14H,3,6-8,11-12H2
InChIKeyAAUVWRDLFOKPML-UHFFFAOYSA-N
MW432.41 g/mol
LogP2.15
Rot. Bonds2

About (3,3-difluoro-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)-(9-fluoro-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)methanone

(3,3-difluoro-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)-(9-fluoro-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)methanone (PubChem CID 142475949) has the molecular formula C20H19F3N6O2 and a molecular weight of 432.41 g/mol. Its IUPAC name is (3,3-difluoro-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)-(9-fluoro-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)methanone.

Molecular Properties

Compound Name(3,3-difluoro-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)-(9-fluoro-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)methanone
PubChem CID142475949
Molecular FormulaC20H19F3N6O2
Molecular Weight432.41 g/mol
Exact Mass432.15
IUPAC Name(3,3-difluoro-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)-(9-fluoro-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)methanone
SMILESO=C(C1CCN(c2ccnc3ccnn23)CC1(F)F)N1CCOc2c(F)cncc2C1
InChIInChI=1S/C20H19F3N6O2/c21-15-10-24-9-13-11-27(7-8-31-18(13)15)19(30)14-3-6-28(12-20(14,22)23)17-2-4-25-16-1-5-26-29(16)17/h1-2,4-5,9-10,14H,3,6-8,11-12H2
InChIKeyAAUVWRDLFOKPML-UHFFFAOYSA-N
XLogP2.15
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3,3-difluoro-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)-(9-fluoro-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoro-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)-(9-fluoro-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)methanone?
The IUPAC name of (3,3-difluoro-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)-(9-fluoro-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)methanone (CID 142475949) is (3,3-difluoro-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)-(9-fluoro-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)methanone.
What is the SMILES notation for (3,3-difluoro-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)-(9-fluoro-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)methanone?
The canonical SMILES for (3,3-difluoro-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)-(9-fluoro-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)methanone is O=C(C1CCN(c2ccnc3ccnn23)CC1(F)F)N1CCOc2c(F)cncc2C1.
What is the InChIKey of (3,3-difluoro-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)-(9-fluoro-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)methanone?
The InChIKey is AAUVWRDLFOKPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O2/c21-15-10-24-9-13-11-27(7-8-31-18(13)15)19(30)14-3-6-28(12-20(14,22)23)17-2-4-25-16-1-5-26-29(16)17/h1-2,4-5,9-10,14H,3,6-8,11-12H2.
What are the key properties of (3,3-difluoro-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)-(9-fluoro-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)methanone?
(3,3-difluoro-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)-(9-fluoro-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)methanone has a molecular weight of 432.41 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoro-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-4-yl)-(9-fluoro-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-4-yl)methanone is sourced from PubChem (CID 142475949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).