13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-9-thia-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene

C17H20ClFN4S — CID 167538442

IUPAC13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-9-thia-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene
SMILESC=C1N=C2c3c(c(F)c(C)c(Cl)c3N1C)SCC1CN(C)CCN21
InChIInChI=1S/C17H20ClFN4S/c1-9-13(18)15-12-16(14(9)19)24-8-11-7-21(3)5-6-23(11)17(12)20-10(2)22(15)4/h11H,2,5-8H2,1,3-4H3
InChIKeyCJLUYHHBODFJKX-UHFFFAOYSA-N
MW366.89 g/mol
LogP3.18
Rot. Bonds

About 13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-9-thia-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene

13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-9-thia-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene (PubChem CID 167538442) has the molecular formula C17H20ClFN4S and a molecular weight of 366.89 g/mol. Its IUPAC name is 13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-9-thia-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene.

Molecular Properties

Compound Name13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-9-thia-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene
PubChem CID167538442
Molecular FormulaC17H20ClFN4S
Molecular Weight366.89 g/mol
Exact Mass366.11
IUPAC Name13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-9-thia-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene
SMILESC=C1N=C2c3c(c(F)c(C)c(Cl)c3N1C)SCC1CN(C)CCN21
InChIInChI=1S/C17H20ClFN4S/c1-9-13(18)15-12-16(14(9)19)24-8-11-7-21(3)5-6-23(11)17(12)20-10(2)22(15)4/h11H,2,5-8H2,1,3-4H3
InChIKeyCJLUYHHBODFJKX-UHFFFAOYSA-N
XLogP3.18
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-9-thia-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene with MolForge

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Related Compounds

13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene
CID 167639317
13-chloro-11-fluoro-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene
CID 167707156
11-fluoro-5,12,15-trimethyl-16-methylidene-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene
CID 167689707
11-chloro-5,9,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-8-one
CID 167626499
11,13-difluoro-5,12,15-trimethyl-9-thia-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one
CID 167227037
11-fluoro-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraene
CID 167600472
1-[13-chloro-11-fluoro-16-hydroxy-12-(5-methyl-1H-indazol-4-yl)-15-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-thia-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-5-yl]prop-2-en-1-one
CID 167226928
12-fluoro-16-iodo-5,10,13-trimethyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one
CID 167104746
12-chloro-16-iodo-5,10,13-trimethyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one
CID 167104763
[3-chloro-6-(2,4-dimethylpiperazin-1-yl)-2-fluoro-4-pyridinyl]carbamic acid
CID 155227649
11-fluoro-5,12,15-trimethyl-9,9-dioxo-9λ6-thia-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one
CID 167104810
2-fluoro-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 170582043

Frequently Asked Questions

What is the IUPAC name of 13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-9-thia-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene?
The IUPAC name of 13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-9-thia-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene (CID 167538442) is 13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-9-thia-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene.
What is the SMILES notation for 13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-9-thia-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene?
The canonical SMILES for 13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-9-thia-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene is C=C1N=C2c3c(c(F)c(C)c(Cl)c3N1C)SCC1CN(C)CCN21.
What is the InChIKey of 13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-9-thia-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene?
The InChIKey is CJLUYHHBODFJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN4S/c1-9-13(18)15-12-16(14(9)19)24-8-11-7-21(3)5-6-23(11)17(12)20-10(2)22(15)4/h11H,2,5-8H2,1,3-4H3.
What are the key properties of 13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-9-thia-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene?
13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-9-thia-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene has a molecular weight of 366.89 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-chloro-11-fluoro-5,12,15-trimethyl-16-methylidene-9-thia-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene is sourced from PubChem (CID 167538442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).