6-fluorospiro[10-oxa-2,8,14,18,19,22-hexazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene-3,1'-cyclopropane]-15-one

C18H17FN6O2 — CID 139552525

IUPAC6-fluorospiro[10-oxa-2,8,14,18,19,22-hexazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene-3,1'-cyclopropane]-15-one
SMILESO=C1NCCCOc2ncc(F)cc2C2(CC2)Nc2ccn3ncc1c3n2
InChIInChI=1S/C18H17FN6O2/c19-11-8-13-17(21-9-11)27-7-1-5-20-16(26)12-10-22-25-6-2-14(23-15(12)25)24-18(13)3-4-18/h2,6,8-10H,1,3-5,7H2,(H,20,26)(H,23,24)
InChIKeyZSOCWKCVJIAUJV-UHFFFAOYSA-N
MW368.37 g/mol
LogP1.88
Rot. Bonds

About 6-fluorospiro[10-oxa-2,8,14,18,19,22-hexazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene-3,1'-cyclopropane]-15-one

6-fluorospiro[10-oxa-2,8,14,18,19,22-hexazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene-3,1'-cyclopropane]-15-one (PubChem CID 139552525) has the molecular formula C18H17FN6O2 and a molecular weight of 368.37 g/mol. Its IUPAC name is 6-fluorospiro[10-oxa-2,8,14,18,19,22-hexazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene-3,1'-cyclopropane]-15-one.

Molecular Properties

Compound Name6-fluorospiro[10-oxa-2,8,14,18,19,22-hexazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene-3,1'-cyclopropane]-15-one
PubChem CID139552525
Molecular FormulaC18H17FN6O2
Molecular Weight368.37 g/mol
Exact Mass368.14
IUPAC Name6-fluorospiro[10-oxa-2,8,14,18,19,22-hexazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene-3,1'-cyclopropane]-15-one
SMILESO=C1NCCCOc2ncc(F)cc2C2(CC2)Nc2ccn3ncc1c3n2
InChIInChI=1S/C18H17FN6O2/c19-11-8-13-17(21-9-11)27-7-1-5-20-16(26)12-10-22-25-6-2-14(23-15(12)25)24-18(13)3-4-18/h2,6,8-10H,1,3-5,7H2,(H,20,26)(H,23,24)
InChIKeyZSOCWKCVJIAUJV-UHFFFAOYSA-N
XLogP1.88
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-fluorospiro[10-oxa-2,8,14,18,19,22-hexazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene-3,1'-cyclopropane]-15-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-fluorospiro[10-oxa-2,8,14,18,19,22-hexazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene-3,1'-cyclopropane]-15-one?
The IUPAC name of 6-fluorospiro[10-oxa-2,8,14,18,19,22-hexazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene-3,1'-cyclopropane]-15-one (CID 139552525) is 6-fluorospiro[10-oxa-2,8,14,18,19,22-hexazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene-3,1'-cyclopropane]-15-one.
What is the SMILES notation for 6-fluorospiro[10-oxa-2,8,14,18,19,22-hexazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene-3,1'-cyclopropane]-15-one?
The canonical SMILES for 6-fluorospiro[10-oxa-2,8,14,18,19,22-hexazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene-3,1'-cyclopropane]-15-one is O=C1NCCCOc2ncc(F)cc2C2(CC2)Nc2ccn3ncc1c3n2.
What is the InChIKey of 6-fluorospiro[10-oxa-2,8,14,18,19,22-hexazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene-3,1'-cyclopropane]-15-one?
The InChIKey is ZSOCWKCVJIAUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O2/c19-11-8-13-17(21-9-11)27-7-1-5-20-16(26)12-10-22-25-6-2-14(23-15(12)25)24-18(13)3-4-18/h2,6,8-10H,1,3-5,7H2,(H,20,26)(H,23,24).
What are the key properties of 6-fluorospiro[10-oxa-2,8,14,18,19,22-hexazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene-3,1'-cyclopropane]-15-one?
6-fluorospiro[10-oxa-2,8,14,18,19,22-hexazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene-3,1'-cyclopropane]-15-one has a molecular weight of 368.37 g/mol, XLogP of 1.88, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorospiro[10-oxa-2,8,14,18,19,22-hexazatetracyclo[14.5.2.04,9.019,23]tricosa-1(22),4(9),5,7,16(23),17,20-heptaene-3,1'-cyclopropane]-15-one is sourced from PubChem (CID 139552525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).