(5R,10bS)-2-(4-chlorophenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one

C24H18ClN3O2 — CID 7232608

IUPAC(5R,10bS)-2-(4-chlorophenyl)-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(Cl)cc4)=NN32)c2ccccc21
InChIInChI=1S/C24H18ClN3O2/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+/m0/s1
InChIKeyYBNVITVFXHUKTR-XUZZJYLKSA-N
MW415.88 g/mol
LogP4.71
Rot. Bonds1

About (5R,10bS)-2-(4-chlorophenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one

(5R,10bS)-2-(4-chlorophenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one (PubChem CID 7232608) has the molecular formula C24H18ClN3O2 and a molecular weight of 415.88 g/mol. Its IUPAC name is (5R,10bS)-2-(4-chlorophenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one.

Molecular Properties

Compound Name(5R,10bS)-2-(4-chlorophenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one
PubChem CID7232608
Molecular FormulaC24H18ClN3O2
Molecular Weight415.88 g/mol
Exact Mass415.11
IUPAC Name(5R,10bS)-2-(4-chlorophenyl)-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(Cl)cc4)=NN32)c2ccccc21
InChIInChI=1S/C24H18ClN3O2/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+/m0/s1
InChIKeyYBNVITVFXHUKTR-XUZZJYLKSA-N
XLogP4.71
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S,10bR)-2-(4-bromophenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one
CID 175663530
(10bR)-2-(4-chlorophenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
CID 1388183
(5S,10bS)-5'-chloro-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one
CID 42422413
(5S,10bS)-5'-chloro-2-(4-fluorophenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one
CID 42422418
2-(4-chlorophenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclopentane]
CID 3121719
(5R,10bR)-9-bromo-1',5'-dimethyl-2-(4-methylphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one
CID 42418729
(5R,10bR)-5-(4-chlorophenyl)-5-methyl-2-(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
CID 124815307
(10bS)-2-(4-chlorophenyl)-4'-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
CID 40910787
(5R,10bS)-9-chloro-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one
CID 40596975
(5S,10bR)-2-(4-chlorophenyl)-5-methyl-5-(4-nitrophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
CID 92643017
9-chloro-2-(4-methoxyphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one
CID 23881192
(5S,10bS)-2-(4-chlorophenyl)-9-nitrospiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-1H-indole]-2'-one
CID 6559302

Frequently Asked Questions

What is the IUPAC name of (5R,10bS)-2-(4-chlorophenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one?
The IUPAC name of (5R,10bS)-2-(4-chlorophenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one (CID 7232608) is (5R,10bS)-2-(4-chlorophenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one.
What is the SMILES notation for (5R,10bS)-2-(4-chlorophenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one?
The canonical SMILES for (5R,10bS)-2-(4-chlorophenyl)-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(Cl)cc4)=NN32)c2ccccc21.
What is the InChIKey of (5R,10bS)-2-(4-chlorophenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one?
The InChIKey is YBNVITVFXHUKTR-XUZZJYLKSA-N. The full InChI is InChI=1S/C24H18ClN3O2/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+/m0/s1.
What are the key properties of (5R,10bS)-2-(4-chlorophenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one?
(5R,10bS)-2-(4-chlorophenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one has a molecular weight of 415.88 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,10bS)-2-(4-chlorophenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-indole]-2'-one is sourced from PubChem (CID 7232608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).