(5S,10bR)-2-(4-bromophenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one

C24H18BrN3O2 — CID 175663530

IUPAC(5S,10bR)-2-(4-bromophenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one
SMILESCN1C(=O)[C@@]2(Oc3ccccc3[C@H]3CC(c4ccc(Br)cc4)=NN32)c2ccccc21
InChIInChI=1S/C24H18BrN3O2/c1-27-20-8-4-3-7-18(20)24(23(27)29)28-21(17-6-2-5-9-22(17)30-24)14-19(26-28)15-10-12-16(25)13-11-15/h2-13,21H,14H2,1H3/t21-,24+/m1/s1
InChIKeyJZEGRLSKGRWFLL-QPPBQGQZSA-N
MW460.33 g/mol
LogP4.82
Rot. Bonds1

About (5S,10bR)-2-(4-bromophenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one

(5S,10bR)-2-(4-bromophenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one (PubChem CID 175663530) has the molecular formula C24H18BrN3O2 and a molecular weight of 460.33 g/mol. Its IUPAC name is (5S,10bR)-2-(4-bromophenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one.

Molecular Properties

Compound Name(5S,10bR)-2-(4-bromophenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one
PubChem CID175663530
Molecular FormulaC24H18BrN3O2
Molecular Weight460.33 g/mol
Exact Mass459.06
IUPAC Name(5S,10bR)-2-(4-bromophenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one
SMILESCN1C(=O)[C@@]2(Oc3ccccc3[C@H]3CC(c4ccc(Br)cc4)=NN32)c2ccccc21
InChIInChI=1S/C24H18BrN3O2/c1-27-20-8-4-3-7-18(20)24(23(27)29)28-21(17-6-2-5-9-22(17)30-24)14-19(26-28)15-10-12-16(25)13-11-15/h2-13,21H,14H2,1H3/t21-,24+/m1/s1
InChIKeyJZEGRLSKGRWFLL-QPPBQGQZSA-N
XLogP4.82
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.33
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5S,10bR)-2-(4-bromophenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-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 (5S,10bR)-2-(4-bromophenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one?
The IUPAC name of (5S,10bR)-2-(4-bromophenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one (CID 175663530) is (5S,10bR)-2-(4-bromophenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one.
What is the SMILES notation for (5S,10bR)-2-(4-bromophenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one?
The canonical SMILES for (5S,10bR)-2-(4-bromophenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one is CN1C(=O)[C@@]2(Oc3ccccc3[C@H]3CC(c4ccc(Br)cc4)=NN32)c2ccccc21.
What is the InChIKey of (5S,10bR)-2-(4-bromophenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one?
The InChIKey is JZEGRLSKGRWFLL-QPPBQGQZSA-N. The full InChI is InChI=1S/C24H18BrN3O2/c1-27-20-8-4-3-7-18(20)24(23(27)29)28-21(17-6-2-5-9-22(17)30-24)14-19(26-28)15-10-12-16(25)13-11-15/h2-13,21H,14H2,1H3/t21-,24+/m1/s1.
What are the key properties of (5S,10bR)-2-(4-bromophenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one?
(5S,10bR)-2-(4-bromophenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one has a molecular weight of 460.33 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10bR)-2-(4-bromophenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one is sourced from PubChem (CID 175663530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).