(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(5-methylpyrazolo[1,5-a]pyridin-3-yl)methanone

C19H19N3O2 — CID 154741465

IUPAC(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(5-methylpyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESCc1ccn2ncc(C(=O)N3Cc4ccccc4OC(C)C3)c2c1
InChIInChI=1S/C19H19N3O2/c1-13-7-8-22-17(9-13)16(10-20-22)19(23)21-11-14(2)24-18-6-4-3-5-15(18)12-21/h3-10,14H,11-12H2,1-2H3
InChIKeyGZPVFMPZEAVUHA-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.07
Rot. Bonds1

About (2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(5-methylpyrazolo[1,5-a]pyridin-3-yl)methanone

(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(5-methylpyrazolo[1,5-a]pyridin-3-yl)methanone (PubChem CID 154741465) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(5-methylpyrazolo[1,5-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(5-methylpyrazolo[1,5-a]pyridin-3-yl)methanone
PubChem CID154741465
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(5-methylpyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESCc1ccn2ncc(C(=O)N3Cc4ccccc4OC(C)C3)c2c1
InChIInChI=1S/C19H19N3O2/c1-13-7-8-22-17(9-13)16(10-20-22)19(23)21-11-14(2)24-18-6-4-3-5-15(18)12-21/h3-10,14H,11-12H2,1-2H3
InChIKeyGZPVFMPZEAVUHA-UHFFFAOYSA-N
XLogP3.07
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(5-methylpyrazolo[1,5-a]pyridin-3-yl)methanone?
The IUPAC name of (2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(5-methylpyrazolo[1,5-a]pyridin-3-yl)methanone (CID 154741465) is (2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(5-methylpyrazolo[1,5-a]pyridin-3-yl)methanone.
What is the SMILES notation for (2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(5-methylpyrazolo[1,5-a]pyridin-3-yl)methanone?
The canonical SMILES for (2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(5-methylpyrazolo[1,5-a]pyridin-3-yl)methanone is Cc1ccn2ncc(C(=O)N3Cc4ccccc4OC(C)C3)c2c1.
What is the InChIKey of (2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(5-methylpyrazolo[1,5-a]pyridin-3-yl)methanone?
The InChIKey is GZPVFMPZEAVUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13-7-8-22-17(9-13)16(10-20-22)19(23)21-11-14(2)24-18-6-4-3-5-15(18)12-21/h3-10,14H,11-12H2,1-2H3.
What are the key properties of (2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(5-methylpyrazolo[1,5-a]pyridin-3-yl)methanone?
(2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(5-methylpyrazolo[1,5-a]pyridin-3-yl)methanone has a molecular weight of 321.38 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-(5-methylpyrazolo[1,5-a]pyridin-3-yl)methanone is sourced from PubChem (CID 154741465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).