14-fluoro-5,13,16-trimethyl-2,5,12,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),9,11,13,15(19)-pentaene-8,17-dione

C17H18FN5O2 — CID 167604539

IUPAC14-fluoro-5,13,16-trimethyl-2,5,12,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),9,11,13,15(19)-pentaene-8,17-dione
SMILESCc1nc2c3c(nc(=O)n(C)c3c1F)N1CCN(C)CC1C(=O)C=C2
InChIInChI=1S/C17H18FN5O2/c1-9-14(18)15-13-10(19-9)4-5-12(24)11-8-21(2)6-7-23(11)16(13)20-17(25)22(15)3/h4-5,11H,6-8H2,1-3H3
InChIKeySFHNTFYLZGOEQV-UHFFFAOYSA-N
MW343.36 g/mol
LogP0.49
Rot. Bonds

About 14-fluoro-5,13,16-trimethyl-2,5,12,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),9,11,13,15(19)-pentaene-8,17-dione

14-fluoro-5,13,16-trimethyl-2,5,12,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),9,11,13,15(19)-pentaene-8,17-dione (PubChem CID 167604539) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is 14-fluoro-5,13,16-trimethyl-2,5,12,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),9,11,13,15(19)-pentaene-8,17-dione.

Molecular Properties

Compound Name14-fluoro-5,13,16-trimethyl-2,5,12,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),9,11,13,15(19)-pentaene-8,17-dione
PubChem CID167604539
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC Name14-fluoro-5,13,16-trimethyl-2,5,12,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),9,11,13,15(19)-pentaene-8,17-dione
SMILESCc1nc2c3c(nc(=O)n(C)c3c1F)N1CCN(C)CC1C(=O)C=C2
InChIInChI=1S/C17H18FN5O2/c1-9-14(18)15-13-10(19-9)4-5-12(24)11-8-21(2)6-7-23(11)16(13)20-17(25)22(15)3/h4-5,11H,6-8H2,1-3H3
InChIKeySFHNTFYLZGOEQV-UHFFFAOYSA-N
XLogP0.49
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 14-fluoro-5,13,16-trimethyl-2,5,12,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),9,11,13,15(19)-pentaene-8,17-dione with MolForge

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Related Compounds

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-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
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-fluoro-16-iodo-5,13-dimethyl-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 167104745
11-chloro-5,12,15-trimethyl-8,9-dithia-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one
CID 167226898
11-chloro-5,12,15-trimethyl-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18)-tetraen-16-one
CID 167226896
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
(10S)-5-bromo-4-chloro-8,12-dimethyl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-9-one
CID 167173344
6-methyl-2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-amine
CID 81134069
8-(cyclopropylmethyl)-5,12-dimethyl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one
CID 167192487
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
(7S)-5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-14-one
CID 25156465

Frequently Asked Questions

What is the IUPAC name of 14-fluoro-5,13,16-trimethyl-2,5,12,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),9,11,13,15(19)-pentaene-8,17-dione?
The IUPAC name of 14-fluoro-5,13,16-trimethyl-2,5,12,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),9,11,13,15(19)-pentaene-8,17-dione (CID 167604539) is 14-fluoro-5,13,16-trimethyl-2,5,12,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),9,11,13,15(19)-pentaene-8,17-dione.
What is the SMILES notation for 14-fluoro-5,13,16-trimethyl-2,5,12,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),9,11,13,15(19)-pentaene-8,17-dione?
The canonical SMILES for 14-fluoro-5,13,16-trimethyl-2,5,12,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),9,11,13,15(19)-pentaene-8,17-dione is Cc1nc2c3c(nc(=O)n(C)c3c1F)N1CCN(C)CC1C(=O)C=C2.
What is the InChIKey of 14-fluoro-5,13,16-trimethyl-2,5,12,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),9,11,13,15(19)-pentaene-8,17-dione?
The InChIKey is SFHNTFYLZGOEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2/c1-9-14(18)15-13-10(19-9)4-5-12(24)11-8-21(2)6-7-23(11)16(13)20-17(25)22(15)3/h4-5,11H,6-8H2,1-3H3.
What are the key properties of 14-fluoro-5,13,16-trimethyl-2,5,12,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),9,11,13,15(19)-pentaene-8,17-dione?
14-fluoro-5,13,16-trimethyl-2,5,12,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),9,11,13,15(19)-pentaene-8,17-dione has a molecular weight of 343.36 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 14-fluoro-5,13,16-trimethyl-2,5,12,16,18-pentazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),9,11,13,15(19)-pentaene-8,17-dione is sourced from PubChem (CID 167604539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).