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

C19H26FN5 — CID 167600472

IUPAC11-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
SMILESC=C1N=C2c3c(cc(C)c(F)c3N(C)CC3CN(C)CC(C)N23)N1C
InChIInChI=1S/C19H26FN5/c1-11-7-15-16-18(17(11)20)23(5)10-14-9-22(4)8-12(2)25(14)19(16)21-13(3)24(15)6/h7,12,14H,3,8-10H2,1-2,4-6H3
InChIKeyNDCRWNXSMKDAMT-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.26
Rot. Bonds

About 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

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 (PubChem CID 167600472) has the molecular formula C19H26FN5 and a molecular weight of 343.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11-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
PubChem CID167600472
Molecular FormulaC19H26FN5
Molecular Weight343.45 g/mol
Exact Mass343.22
IUPAC Name11-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
SMILESC=C1N=C2c3c(cc(C)c(F)c3N(C)CC3CN(C)CC(C)N23)N1C
InChIInChI=1S/C19H26FN5/c1-11-7-15-16-18(17(11)20)23(5)10-14-9-22(4)8-12(2)25(14)19(16)21-13(3)24(15)6/h7,12,14H,3,8-10H2,1-2,4-6H3
InChIKeyNDCRWNXSMKDAMT-UHFFFAOYSA-N
XLogP2.26
TPSA25.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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-fluoro-3,5,9,12,15-pentamethyl-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraen-16-one
CID 167226938
1-(5-chloro-6-fluoro-4-methyl-2-pyridinyl)-2,4,6-trimethylpiperazine
CID 139405266
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-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
12,14-difluoro-16-iodo-3,5,10,13-tetramethyl-2,5,10,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11,13,15(19)-tetraen-17-one
CID 167104588
(2R,6S)-1-(5-chloro-6-fluoro-4-iodo-2-pyridinyl)-2,4,6-trimethylpiperazine
CID 139405262
12-chloro-3,5,10,13,16-pentamethyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;11-chloro-3,5,9,12,15-pentamethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,9,12,15-pentamethyl-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;12-chloro-3,5,13,16-tetramethyl-2,5,10,14,16,18-hexazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one;11-chloro-3,5,12,15-tetramethyl-16-methylidene-2,5,9,13,15,17-hexazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,12,15-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;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9λ6-thia-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene 9,9-dioxide;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9-oxa-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;11-chloro-3,5,12,15-tetramethyl-16-methylidene-9-thia-2,5,13,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10(18),11,13-tetraene;12-chloro-3,5,13,16-tetramethyl-10-oxa-2,5,14,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11(19),12,14-tetraen-17-one
CID 167632686
14,16-difluoro-4,5,12,15-tetramethyl-9-(1-methylazetidin-3-yl)-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one
CID 166056254
11-fluoro-4,5,12,15-tetramethyl-2,5,9,15,17-pentazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one
CID 165158825
(2R)-1-(2,5-difluoro-4-methylphenyl)-2,4-dimethylpiperazine
CID 176723386

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C1N=C2c3c(cc(C)c(F)c3N(C)CC3CN(C)CC(C)N23)N1C.
What is the InChIKey of 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?
The InChIKey is NDCRWNXSMKDAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5/c1-11-7-15-16-18(17(11)20)23(5)10-14-9-22(4)8-12(2)25(14)19(16)21-13(3)24(15)6/h7,12,14H,3,8-10H2,1-2,4-6H3.
What are the key properties of 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?
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 has a molecular weight of 343.45 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167600472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).