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

C22H18FN3O — CID 56659479

IUPAC4-(3-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-12-one
SMILESO=C1NCC2(CC2)c2[nH]c3c(c21)CCc1cnc(-c2cccc(F)c2)cc1-3
InChIInChI=1S/C22H18FN3O/c23-14-3-1-2-12(8-14)17-9-16-13(10-24-17)4-5-15-18-20(26-19(15)16)22(6-7-22)11-25-21(18)27/h1-3,8-10,26H,4-7,11H2,(H,25,27)
InChIKeyOSHCYABVVJIJAJ-UHFFFAOYSA-N
MW359.40 g/mol
LogP3.76
Rot. Bonds1

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

4-(3-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-12-one (PubChem CID 56659479) has the molecular formula C22H18FN3O and a molecular weight of 359.40 g/mol. Its IUPAC name is 4-(3-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-12-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-12-one
PubChem CID56659479
Molecular FormulaC22H18FN3O
Molecular Weight359.40 g/mol
Exact Mass359.14
IUPAC Name4-(3-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-12-one
SMILESO=C1NCC2(CC2)c2[nH]c3c(c21)CCc1cnc(-c2cccc(F)c2)cc1-3
InChIInChI=1S/C22H18FN3O/c23-14-3-1-2-12(8-14)17-9-16-13(10-24-17)4-5-15-18-20(26-19(15)16)22(6-7-22)11-25-21(18)27/h1-3,8-10,26H,4-7,11H2,(H,25,27)
InChIKeyOSHCYABVVJIJAJ-UHFFFAOYSA-N
XLogP3.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(3-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-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 4-(3-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-12-one?
The IUPAC name of 4-(3-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-12-one (CID 56659479) is 4-(3-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-12-one.
What is the SMILES notation for 4-(3-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-12-one?
The canonical SMILES for 4-(3-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-12-one is O=C1NCC2(CC2)c2[nH]c3c(c21)CCc1cnc(-c2cccc(F)c2)cc1-3.
What is the InChIKey of 4-(3-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-12-one?
The InChIKey is OSHCYABVVJIJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O/c23-14-3-1-2-12(8-14)17-9-16-13(10-24-17)4-5-15-18-20(26-19(15)16)22(6-7-22)11-25-21(18)27/h1-3,8-10,26H,4-7,11H2,(H,25,27).
What are the key properties of 4-(3-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-12-one?
4-(3-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-12-one has a molecular weight of 359.40 g/mol, XLogP of 3.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-12-one is sourced from PubChem (CID 56659479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).