(5S,10bS)-7,9-dibromo-5-(3-chlorophenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

C26H17Br2ClN2O — CID 98129100

IUPAC(5S,10bS)-7,9-dibromo-5-(3-chlorophenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESClc1cccc([C@@H]2Oc3c(Br)cc(Br)cc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)c1
InChIInChI=1S/C26H17Br2ClN2O/c27-19-12-21-24-14-23(17-9-8-15-4-1-2-5-16(15)10-17)30-31(24)26(32-25(21)22(28)13-19)18-6-3-7-20(29)11-18/h1-13,24,26H,14H2/t24-,26-/m0/s1
InChIKeyFIIZCWKVTTXVRX-AHWVRZQESA-N
MW568.70 g/mol
LogP8.26
Rot. Bonds2

About (5S,10bS)-7,9-dibromo-5-(3-chlorophenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

(5S,10bS)-7,9-dibromo-5-(3-chlorophenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 98129100) has the molecular formula C26H17Br2ClN2O and a molecular weight of 568.70 g/mol. Its IUPAC name is (5S,10bS)-7,9-dibromo-5-(3-chlorophenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

Compound Name(5S,10bS)-7,9-dibromo-5-(3-chlorophenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
PubChem CID98129100
Molecular FormulaC26H17Br2ClN2O
Molecular Weight568.70 g/mol
Exact Mass565.94
IUPAC Name(5S,10bS)-7,9-dibromo-5-(3-chlorophenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESClc1cccc([C@@H]2Oc3c(Br)cc(Br)cc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)c1
InChIInChI=1S/C26H17Br2ClN2O/c27-19-12-21-24-14-23(17-9-8-15-4-1-2-5-16(15)10-17)30-31(24)26(32-25(21)22(28)13-19)18-6-3-7-20(29)11-18/h1-13,24,26H,14H2/t24-,26-/m0/s1
InChIKeyFIIZCWKVTTXVRX-AHWVRZQESA-N
XLogP8.26
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.70
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S,10bS)-7,9-dibromo-5-(3-chlorophenyl)-2-naphthalen-2-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

Related Compounds

(5R,10bS)-7,9-dibromo-2-(4-bromophenyl)-5-(3-chlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 124631871
(5S,10bR)-7,9-dibromo-2-naphthalen-2-yl-5-(3-nitrophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 98129105
(5S,10bR)-7,9-dibromo-2,5-diphenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 42454161
(5R,10bS)-7,9-dichloro-2-naphthalen-2-yl-5-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 92957431
(5R,10bR)-9-bromo-5-(4-chlorophenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 92836909
(5S,10bS)-9-bromo-5-(4-chlorophenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 92836905
(5R,10bR)-7,9-dibromo-2-(4-chlorophenyl)-5-(4-fluorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 99985113
(5R,10bS)-7,9-dibromo-2-(4-bromophenyl)-5-(2-chlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 124631851
7,9-dibromo-2-phenyl-5-(4-propan-2-ylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 3850861
(5S,10bS)-7,9-dibromo-5-(4-methoxyphenyl)-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 41051833
(5R,10bR)-7,9-dibromo-5-(3-nitrophenyl)-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 98141847
(5S,10bR)-7,9-dibromo-2-(4-bromophenyl)-5-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 124825484

Frequently Asked Questions

What is the IUPAC name of (5S,10bS)-7,9-dibromo-5-(3-chlorophenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The IUPAC name of (5S,10bS)-7,9-dibromo-5-(3-chlorophenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (CID 98129100) is (5S,10bS)-7,9-dibromo-5-(3-chlorophenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.
What is the SMILES notation for (5S,10bS)-7,9-dibromo-5-(3-chlorophenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The canonical SMILES for (5S,10bS)-7,9-dibromo-5-(3-chlorophenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is Clc1cccc([C@@H]2Oc3c(Br)cc(Br)cc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)c1.
What is the InChIKey of (5S,10bS)-7,9-dibromo-5-(3-chlorophenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The InChIKey is FIIZCWKVTTXVRX-AHWVRZQESA-N. The full InChI is InChI=1S/C26H17Br2ClN2O/c27-19-12-21-24-14-23(17-9-8-15-4-1-2-5-16(15)10-17)30-31(24)26(32-25(21)22(28)13-19)18-6-3-7-20(29)11-18/h1-13,24,26H,14H2/t24-,26-/m0/s1.
What are the key properties of (5S,10bS)-7,9-dibromo-5-(3-chlorophenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
(5S,10bS)-7,9-dibromo-5-(3-chlorophenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 568.70 g/mol, XLogP of 8.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10bS)-7,9-dibromo-5-(3-chlorophenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 98129100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).