4-(2-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one

C22H18FN3O — CID 56669830

IUPAC4-(2-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one
SMILESO=C1NC2(CC2)Cc2[nH]c3c(c21)CCc1cnc(-c2ccccc2F)cc1-3
InChIInChI=1S/C22H18FN3O/c23-16-4-2-1-3-13(16)17-9-15-12(11-24-17)5-6-14-19-18(25-20(14)15)10-22(7-8-22)26-21(19)27/h1-4,9,11,25H,5-8,10H2,(H,26,27)
InChIKeyOJIIULQRCICCLG-UHFFFAOYSA-N
MW359.40 g/mol
LogP3.80
Rot. Bonds1

About 4-(2-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one

4-(2-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one (PubChem CID 56669830) has the molecular formula C22H18FN3O and a molecular weight of 359.40 g/mol. Its IUPAC name is 4-(2-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one
PubChem CID56669830
Molecular FormulaC22H18FN3O
Molecular Weight359.40 g/mol
Exact Mass359.14
IUPAC Name4-(2-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one
SMILESO=C1NC2(CC2)Cc2[nH]c3c(c21)CCc1cnc(-c2ccccc2F)cc1-3
InChIInChI=1S/C22H18FN3O/c23-16-4-2-1-3-13(16)17-9-15-12(11-24-17)5-6-14-19-18(25-20(14)15)10-22(7-8-22)26-21(19)27/h1-4,9,11,25H,5-8,10H2,(H,26,27)
InChIKeyOJIIULQRCICCLG-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(2-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one?
The IUPAC name of 4-(2-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one (CID 56669830) is 4-(2-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one.
What is the SMILES notation for 4-(2-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one?
The canonical SMILES for 4-(2-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one is O=C1NC2(CC2)Cc2[nH]c3c(c21)CCc1cnc(-c2ccccc2F)cc1-3.
What is the InChIKey of 4-(2-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one?
The InChIKey is OJIIULQRCICCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O/c23-16-4-2-1-3-13(16)17-9-15-12(11-24-17)5-6-14-19-18(25-20(14)15)10-22(7-8-22)26-21(19)27/h1-4,9,11,25H,5-8,10H2,(H,26,27).
What are the key properties of 4-(2-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one?
4-(2-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one has a molecular weight of 359.40 g/mol, XLogP of 3.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)spiro[5,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-14,1'-cyclopropane]-12-one is sourced from PubChem (CID 56669830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).