9-bromo-2-naphthalen-2-yl-5-pyridin-4-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

C25H18BrN3O — CID 3131189

IUPAC9-bromo-2-naphthalen-2-yl-5-pyridin-4-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESBrc1ccc2c(c1)C1CC(c3ccc4ccccc4c3)=NN1C(c1ccncc1)O2
InChIInChI=1S/C25H18BrN3O/c26-20-7-8-24-21(14-20)23-15-22(19-6-5-16-3-1-2-4-18(16)13-19)28-29(23)25(30-24)17-9-11-27-12-10-17/h1-14,23,25H,15H2
InChIKeyDERCECTVEREADK-UHFFFAOYSA-N
MW456.34 g/mol
LogP6.24
Rot. Bonds2

About 9-bromo-2-naphthalen-2-yl-5-pyridin-4-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

9-bromo-2-naphthalen-2-yl-5-pyridin-4-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 3131189) has the molecular formula C25H18BrN3O and a molecular weight of 456.34 g/mol. Its IUPAC name is 9-bromo-2-naphthalen-2-yl-5-pyridin-4-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

Compound Name9-bromo-2-naphthalen-2-yl-5-pyridin-4-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
PubChem CID3131189
Molecular FormulaC25H18BrN3O
Molecular Weight456.34 g/mol
Exact Mass455.06
IUPAC Name9-bromo-2-naphthalen-2-yl-5-pyridin-4-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESBrc1ccc2c(c1)C1CC(c3ccc4ccccc4c3)=NN1C(c1ccncc1)O2
InChIInChI=1S/C25H18BrN3O/c26-20-7-8-24-21(14-20)23-15-22(19-6-5-16-3-1-2-4-18(16)13-19)28-29(23)25(30-24)17-9-11-27-12-10-17/h1-14,23,25H,15H2
InChIKeyDERCECTVEREADK-UHFFFAOYSA-N
XLogP6.24
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.34
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-bromo-2-naphthalen-2-yl-5-pyridin-4-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine 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-bromo-2-naphthalen-2-yl-5-pyridin-4-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The IUPAC name of 9-bromo-2-naphthalen-2-yl-5-pyridin-4-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (CID 3131189) is 9-bromo-2-naphthalen-2-yl-5-pyridin-4-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.
What is the SMILES notation for 9-bromo-2-naphthalen-2-yl-5-pyridin-4-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The canonical SMILES for 9-bromo-2-naphthalen-2-yl-5-pyridin-4-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is Brc1ccc2c(c1)C1CC(c3ccc4ccccc4c3)=NN1C(c1ccncc1)O2.
What is the InChIKey of 9-bromo-2-naphthalen-2-yl-5-pyridin-4-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The InChIKey is DERCECTVEREADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18BrN3O/c26-20-7-8-24-21(14-20)23-15-22(19-6-5-16-3-1-2-4-18(16)13-19)28-29(23)25(30-24)17-9-11-27-12-10-17/h1-14,23,25H,15H2.
What are the key properties of 9-bromo-2-naphthalen-2-yl-5-pyridin-4-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
9-bromo-2-naphthalen-2-yl-5-pyridin-4-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 456.34 g/mol, XLogP of 6.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-2-naphthalen-2-yl-5-pyridin-4-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 3131189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).