5'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one

C24H18FN3O — CID 171476553

IUPAC5'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one
SMILESCN1C(=O)C2(N=C(c3ccccc3)N3CCc4cccc2c43)c2cc(F)ccc21
InChIInChI=1S/C24H18FN3O/c1-27-20-11-10-17(25)14-19(20)24(23(27)29)18-9-5-8-15-12-13-28(21(15)18)22(26-24)16-6-3-2-4-7-16/h2-11,14H,12-13H2,1H3
InChIKeyBKLCQMZKKKRPSA-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.87
Rot. Bonds1

About 5'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one

5'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one (PubChem CID 171476553) has the molecular formula C24H18FN3O and a molecular weight of 383.43 g/mol. Its IUPAC name is 5'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one.

Molecular Properties

Compound Name5'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one
PubChem CID171476553
Molecular FormulaC24H18FN3O
Molecular Weight383.43 g/mol
Exact Mass383.14
IUPAC Name5'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one
SMILESCN1C(=O)C2(N=C(c3ccccc3)N3CCc4cccc2c43)c2cc(F)ccc21
InChIInChI=1S/C24H18FN3O/c1-27-20-11-10-17(25)14-19(20)24(23(27)29)18-9-5-8-15-12-13-28(21(15)18)22(26-24)16-6-3-2-4-7-16/h2-11,14H,12-13H2,1H3
InChIKeyBKLCQMZKKKRPSA-UHFFFAOYSA-N
XLogP3.87
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one with MolForge

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Related Compounds

1'-methyl-11-(4-phenylphenyl)spiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one
CID 171476532
7'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one
CID 171476521
5-methoxy-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraene-9,3'-indole]-2'-one
CID 171476525
1'-methyl-3-phenylspiro[azirine-2,3'-indole]-2'-one
CID 132527977
5-fluoro-1'-hydroxy-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 70345928
(1R,2R)-2-(4-fluorophenyl)-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 71606779
2-amino-5-[5-(3-fluorophenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one
CID 59388755
(3R)-3-ethyl-3-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 134968441
2-amino-2'-bromo-3'-fluoro-3-methylspiro[imidazole-5,9'-xanthene]-4-one
CID 67457293
5-fluoro-9-(1-methylpiperidin-4-yl)-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10,12,14(17)-hexaene
CID 14459742
5-fluoro-3-hydroxy-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 151072238
(3R)-1'-(3-fluorophenyl)sulfonyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104009

Frequently Asked Questions

What is the IUPAC name of 5'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one?
The IUPAC name of 5'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one (CID 171476553) is 5'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one.
What is the SMILES notation for 5'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one?
The canonical SMILES for 5'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one is CN1C(=O)C2(N=C(c3ccccc3)N3CCc4cccc2c43)c2cc(F)ccc21.
What is the InChIKey of 5'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one?
The InChIKey is BKLCQMZKKKRPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O/c1-27-20-11-10-17(25)14-19(20)24(23(27)29)18-9-5-8-15-12-13-28(21(15)18)22(26-24)16-6-3-2-4-7-16/h2-11,14H,12-13H2,1H3.
What are the key properties of 5'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one?
5'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one has a molecular weight of 383.43 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-fluoro-1'-methyl-11-phenylspiro[1,10-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-9,3'-indole]-2'-one is sourced from PubChem (CID 171476553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).