2-benzyl-6-[(3S)-5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

C23H24N4O2 — CID 135370001

IUPAC2-benzyl-6-[(3S)-5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCN1C[C@H](N2CCc3cn(Cc4ccccc4)nc3C2=O)COc2ccccc21
InChIInChI=1S/C23H24N4O2/c1-25-15-19(16-29-21-10-6-5-9-20(21)25)27-12-11-18-14-26(24-22(18)23(27)28)13-17-7-3-2-4-8-17/h2-10,14,19H,11-13,15-16H2,1H3/t19-/m0/s1
InChIKeyRFCKKFKETHJECX-IBGZPJMESA-N
MW388.47 g/mol
LogP2.83
Rot. Bonds3

About 2-benzyl-6-[(3S)-5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

2-benzyl-6-[(3S)-5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (PubChem CID 135370001) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-benzyl-6-[(3S)-5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name2-benzyl-6-[(3S)-5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
PubChem CID135370001
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-benzyl-6-[(3S)-5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCN1C[C@H](N2CCc3cn(Cc4ccccc4)nc3C2=O)COc2ccccc21
InChIInChI=1S/C23H24N4O2/c1-25-15-19(16-29-21-10-6-5-9-20(21)25)27-12-11-18-14-26(24-22(18)23(27)28)13-17-7-3-2-4-8-17/h2-10,14,19H,11-13,15-16H2,1H3/t19-/m0/s1
InChIKeyRFCKKFKETHJECX-IBGZPJMESA-N
XLogP2.83
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-benzyl-6-[(3S)-5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one 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 2-benzyl-6-[(3S)-5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 2-benzyl-6-[(3S)-5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (CID 135370001) is 2-benzyl-6-[(3S)-5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 2-benzyl-6-[(3S)-5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 2-benzyl-6-[(3S)-5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is CN1C[C@H](N2CCc3cn(Cc4ccccc4)nc3C2=O)COc2ccccc21.
What is the InChIKey of 2-benzyl-6-[(3S)-5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The InChIKey is RFCKKFKETHJECX-IBGZPJMESA-N. The full InChI is InChI=1S/C23H24N4O2/c1-25-15-19(16-29-21-10-6-5-9-20(21)25)27-12-11-18-14-26(24-22(18)23(27)28)13-17-7-3-2-4-8-17/h2-10,14,19H,11-13,15-16H2,1H3/t19-/m0/s1.
What are the key properties of 2-benzyl-6-[(3S)-5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
2-benzyl-6-[(3S)-5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one has a molecular weight of 388.47 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-[(3S)-5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-3-yl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 135370001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).