5-fluoro-7'-(4-methylbenzoyl)spiro[1H-indole-3,8'-2,5-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),6,11,13,15-pentaene]-2,10'-dione

C29H20FN3O3 — CID 71814591

IUPAC5-fluoro-7'-(4-methylbenzoyl)spiro[1H-indole-3,8'-2,5-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),6,11,13,15-pentaene]-2,10'-dione
SMILESCc1ccc(C(=O)C2=C3NCCN3C3=C(C(=O)c4ccccc43)C23C(=O)Nc2ccc(F)cc23)cc1
InChIInChI=1S/C29H20FN3O3/c1-15-6-8-16(9-7-15)25(34)23-27-31-12-13-33(27)24-18-4-2-3-5-19(18)26(35)22(24)29(23)20-14-17(30)10-11-21(20)32-28(29)36/h2-11,14,31H,12-13H2,1H3,(H,32,36)
InChIKeyVCSWWCJJMKHYFF-UHFFFAOYSA-N
MW477.50 g/mol
LogP3.94
Rot. Bonds2

About 5-fluoro-7'-(4-methylbenzoyl)spiro[1H-indole-3,8'-2,5-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),6,11,13,15-pentaene]-2,10'-dione

5-fluoro-7'-(4-methylbenzoyl)spiro[1H-indole-3,8'-2,5-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),6,11,13,15-pentaene]-2,10'-dione (PubChem CID 71814591) has the molecular formula C29H20FN3O3 and a molecular weight of 477.50 g/mol. Its IUPAC name is 5-fluoro-7'-(4-methylbenzoyl)spiro[1H-indole-3,8'-2,5-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),6,11,13,15-pentaene]-2,10'-dione.

Molecular Properties

Compound Name5-fluoro-7'-(4-methylbenzoyl)spiro[1H-indole-3,8'-2,5-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),6,11,13,15-pentaene]-2,10'-dione
PubChem CID71814591
Molecular FormulaC29H20FN3O3
Molecular Weight477.50 g/mol
Exact Mass477.15
IUPAC Name5-fluoro-7'-(4-methylbenzoyl)spiro[1H-indole-3,8'-2,5-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),6,11,13,15-pentaene]-2,10'-dione
SMILESCc1ccc(C(=O)C2=C3NCCN3C3=C(C(=O)c4ccccc43)C23C(=O)Nc2ccc(F)cc23)cc1
InChIInChI=1S/C29H20FN3O3/c1-15-6-8-16(9-7-15)25(34)23-27-31-12-13-33(27)24-18-4-2-3-5-19(18)26(35)22(24)29(23)20-14-17(30)10-11-21(20)32-28(29)36/h2-11,14,31H,12-13H2,1H3,(H,32,36)
InChIKeyVCSWWCJJMKHYFF-UHFFFAOYSA-N
XLogP3.94
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.50
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-7'-(4-methylbenzoyl)spiro[1H-indole-3,8'-2,5-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),6,11,13,15-pentaene]-2,10'-dione with MolForge

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Related Compounds

12-(4-chlorobenzoyl)spiro[1,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,12-pentaene-11,3'-1H-indole]-2',9-dione
CID 71814770
8'-nitrospiro[1H-indole-3,9'-2,6-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),7,12,14,16-pentaene]-2,11'-dione
CID 139238134
17-(4-chlorophenyl)-16-(4-methylbenzoyl)-11,14-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7,15-pentaene-2,9-dione
CID 71544989
5-fluoro-3,3-bis(2-hydroxy-4-methylphenyl)-1H-indol-2-one
CID 14616665
(3R)-5-fluoro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 1425817
5'-fluoro-12-methyl-14-phenylspiro[13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),12-hexaene-10,3'-1H-indole]-2',8-dione
CID 135878866
5'-amino-5-methyl-8'-nitro-2-oxospiro[1H-indole-3,7'-2,3-dihydro-1H-imidazo[1,2-a]pyridine]-6'-carbonitrile
CID 127025337
5-fluoro-10'-(4-fluorophenyl)-3',6'-dimethylspiro[1H-indole-3,9'-acridine]-2-one
CID 14616692
2-[(6S)-7-(4-methylbenzoyl)-5-oxo-1,2,3,6-tetrahydropyrrolo[1,2-a]imidazol-6-yl]acetic acid
CID 124528367
ethyl 2'-amino-5-bromo-2,5',10'-trioxospiro[1H-indole-3,4'-benzo[g]chromene]-3'-carboxylate
CID 54590009
methyl 5'-bromo-2-methyl-2',5-dioxospiro[1H-indeno[1,2-b]pyridine-4,3'-1H-indole]-3-carboxylate
CID 56589977
5'-acetyl-2'-amino-5-fluoro-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carbonitrile
CID 146162970

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7'-(4-methylbenzoyl)spiro[1H-indole-3,8'-2,5-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),6,11,13,15-pentaene]-2,10'-dione?
The IUPAC name of 5-fluoro-7'-(4-methylbenzoyl)spiro[1H-indole-3,8'-2,5-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),6,11,13,15-pentaene]-2,10'-dione (CID 71814591) is 5-fluoro-7'-(4-methylbenzoyl)spiro[1H-indole-3,8'-2,5-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),6,11,13,15-pentaene]-2,10'-dione.
What is the SMILES notation for 5-fluoro-7'-(4-methylbenzoyl)spiro[1H-indole-3,8'-2,5-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),6,11,13,15-pentaene]-2,10'-dione?
The canonical SMILES for 5-fluoro-7'-(4-methylbenzoyl)spiro[1H-indole-3,8'-2,5-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),6,11,13,15-pentaene]-2,10'-dione is Cc1ccc(C(=O)C2=C3NCCN3C3=C(C(=O)c4ccccc43)C23C(=O)Nc2ccc(F)cc23)cc1.
What is the InChIKey of 5-fluoro-7'-(4-methylbenzoyl)spiro[1H-indole-3,8'-2,5-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),6,11,13,15-pentaene]-2,10'-dione?
The InChIKey is VCSWWCJJMKHYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20FN3O3/c1-15-6-8-16(9-7-15)25(34)23-27-31-12-13-33(27)24-18-4-2-3-5-19(18)26(35)22(24)29(23)20-14-17(30)10-11-21(20)32-28(29)36/h2-11,14,31H,12-13H2,1H3,(H,32,36).
What are the key properties of 5-fluoro-7'-(4-methylbenzoyl)spiro[1H-indole-3,8'-2,5-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),6,11,13,15-pentaene]-2,10'-dione?
5-fluoro-7'-(4-methylbenzoyl)spiro[1H-indole-3,8'-2,5-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),6,11,13,15-pentaene]-2,10'-dione has a molecular weight of 477.50 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7'-(4-methylbenzoyl)spiro[1H-indole-3,8'-2,5-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),6,11,13,15-pentaene]-2,10'-dione is sourced from PubChem (CID 71814591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).