1'-ethyl-4-(2-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,3'-azetidine]-12-one

C24H23FN4O — CID 56673316

IUPAC1'-ethyl-4-(2-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,3'-azetidine]-12-one
SMILESCCN1CC2(CNC(=O)c3c2[nH]c2c3CCc3cnc(-c4ccccc4F)cc3-2)C1
InChIInChI=1S/C24H23FN4O/c1-2-29-12-24(13-29)11-27-23(30)20-16-8-7-14-10-26-19(15-5-3-4-6-18(15)25)9-17(14)21(16)28-22(20)24/h3-6,9-10,28H,2,7-8,11-13H2,1H3,(H,27,30)
InChIKeyUOMHQTLFZRDKJX-UHFFFAOYSA-N
MW402.47 g/mol
LogP3.30
Rot. Bonds2

About 1'-ethyl-4-(2-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,3'-azetidine]-12-one

1'-ethyl-4-(2-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,3'-azetidine]-12-one (PubChem CID 56673316) has the molecular formula C24H23FN4O and a molecular weight of 402.47 g/mol. Its IUPAC name is 1'-ethyl-4-(2-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,3'-azetidine]-12-one.

Molecular Properties

Compound Name1'-ethyl-4-(2-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,3'-azetidine]-12-one
PubChem CID56673316
Molecular FormulaC24H23FN4O
Molecular Weight402.47 g/mol
Exact Mass402.19
IUPAC Name1'-ethyl-4-(2-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,3'-azetidine]-12-one
SMILESCCN1CC2(CNC(=O)c3c2[nH]c2c3CCc3cnc(-c4ccccc4F)cc3-2)C1
InChIInChI=1S/C24H23FN4O/c1-2-29-12-24(13-29)11-27-23(30)20-16-8-7-14-10-26-19(15-5-3-4-6-18(15)25)9-17(14)21(16)28-22(20)24/h3-6,9-10,28H,2,7-8,11-13H2,1H3,(H,27,30)
InChIKeyUOMHQTLFZRDKJX-UHFFFAOYSA-N
XLogP3.30
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1'-ethyl-4-(2-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,3'-azetidine]-12-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 1'-ethyl-4-(2-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,3'-azetidine]-12-one?
The IUPAC name of 1'-ethyl-4-(2-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,3'-azetidine]-12-one (CID 56673316) is 1'-ethyl-4-(2-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,3'-azetidine]-12-one.
What is the SMILES notation for 1'-ethyl-4-(2-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,3'-azetidine]-12-one?
The canonical SMILES for 1'-ethyl-4-(2-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,3'-azetidine]-12-one is CCN1CC2(CNC(=O)c3c2[nH]c2c3CCc3cnc(-c4ccccc4F)cc3-2)C1.
What is the InChIKey of 1'-ethyl-4-(2-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,3'-azetidine]-12-one?
The InChIKey is UOMHQTLFZRDKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O/c1-2-29-12-24(13-29)11-27-23(30)20-16-8-7-14-10-26-19(15-5-3-4-6-18(15)25)9-17(14)21(16)28-22(20)24/h3-6,9-10,28H,2,7-8,11-13H2,1H3,(H,27,30).
What are the key properties of 1'-ethyl-4-(2-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,3'-azetidine]-12-one?
1'-ethyl-4-(2-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,3'-azetidine]-12-one has a molecular weight of 402.47 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethyl-4-(2-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,3'-azetidine]-12-one is sourced from PubChem (CID 56673316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).