(5S,10bR)-5-(2,4-dichlorophenyl)-2-naphthalen-1-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

C26H18Cl2N2O — CID 42453282

IUPAC(5S,10bR)-5-(2,4-dichlorophenyl)-2-naphthalen-1-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESClc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccc5ccccc45)=NN32)c(Cl)c1
InChIInChI=1S/C26H18Cl2N2O/c27-17-12-13-20(22(28)14-17)26-30-24(21-9-3-4-11-25(21)31-26)15-23(29-30)19-10-5-7-16-6-1-2-8-18(16)19/h1-14,24,26H,15H2/t24-,26+/m1/s1
InChIKeyDXNNSHORKDCYCN-RSXGOPAZSA-N
MW445.35 g/mol
LogP7.39
Rot. Bonds2

About (5S,10bR)-5-(2,4-dichlorophenyl)-2-naphthalen-1-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

(5S,10bR)-5-(2,4-dichlorophenyl)-2-naphthalen-1-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 42453282) has the molecular formula C26H18Cl2N2O and a molecular weight of 445.35 g/mol. Its IUPAC name is (5S,10bR)-5-(2,4-dichlorophenyl)-2-naphthalen-1-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

Compound Name(5S,10bR)-5-(2,4-dichlorophenyl)-2-naphthalen-1-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
PubChem CID42453282
Molecular FormulaC26H18Cl2N2O
Molecular Weight445.35 g/mol
Exact Mass444.08
IUPAC Name(5S,10bR)-5-(2,4-dichlorophenyl)-2-naphthalen-1-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESClc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccc5ccccc45)=NN32)c(Cl)c1
InChIInChI=1S/C26H18Cl2N2O/c27-17-12-13-20(22(28)14-17)26-30-24(21-9-3-4-11-25(21)31-26)15-23(29-30)19-10-5-7-16-6-1-2-8-18(16)19/h1-14,24,26H,15H2/t24-,26+/m1/s1
InChIKeyDXNNSHORKDCYCN-RSXGOPAZSA-N
XLogP7.39
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.35
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S,10bR)-5-(2,4-dichlorophenyl)-2-naphthalen-1-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

2-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 3121731
(5S,10bR)-5-(2,4-dichlorophenyl)-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 7114837
(5R,10bR)-2-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 42453321
(5R,10bS)-5-(2,4-dichlorophenyl)-2-(4-phenylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 51982661
(5S,10bS)-2-(1,3-benzodioxol-5-yl)-5-(2,4-dichlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 40999852
(5S,10bS)-9-chloro-5-(2,4-dichlorophenyl)-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 42497939
(5S,10bR)-5-(2,4-dichlorophenyl)-2-(3-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 124822742
2-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 5174166
(5R,10bR)-5-(2-chlorophenyl)-2-(4-chlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 42453314
(5R,10bS)-2-naphthalen-1-yl-5-(3-nitrophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 25277104
(5R,10bS)-2-naphthalen-1-yl-5-(4-phenylmethoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 40920009
2-naphthalen-1-yl-5-(4-propoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 6737789

Frequently Asked Questions

What is the IUPAC name of (5S,10bR)-5-(2,4-dichlorophenyl)-2-naphthalen-1-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The IUPAC name of (5S,10bR)-5-(2,4-dichlorophenyl)-2-naphthalen-1-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (CID 42453282) is (5S,10bR)-5-(2,4-dichlorophenyl)-2-naphthalen-1-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.
What is the SMILES notation for (5S,10bR)-5-(2,4-dichlorophenyl)-2-naphthalen-1-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The canonical SMILES for (5S,10bR)-5-(2,4-dichlorophenyl)-2-naphthalen-1-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is Clc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccc5ccccc45)=NN32)c(Cl)c1.
What is the InChIKey of (5S,10bR)-5-(2,4-dichlorophenyl)-2-naphthalen-1-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The InChIKey is DXNNSHORKDCYCN-RSXGOPAZSA-N. The full InChI is InChI=1S/C26H18Cl2N2O/c27-17-12-13-20(22(28)14-17)26-30-24(21-9-3-4-11-25(21)31-26)15-23(29-30)19-10-5-7-16-6-1-2-8-18(16)19/h1-14,24,26H,15H2/t24-,26+/m1/s1.
What are the key properties of (5S,10bR)-5-(2,4-dichlorophenyl)-2-naphthalen-1-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
(5S,10bR)-5-(2,4-dichlorophenyl)-2-naphthalen-1-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 445.35 g/mol, XLogP of 7.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10bR)-5-(2,4-dichlorophenyl)-2-naphthalen-1-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 42453282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).