17-fluoro-13-methyl-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),11,13,15(19),16-pentaene

C16H19FN4 — CID 172597458

IUPAC17-fluoro-13-methyl-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),11,13,15(19),16-pentaene
SMILESCc1cc2nc(F)nc3c2c(n1)CCC1CCCCCN31
InChIInChI=1S/C16H19FN4/c1-10-9-13-14-12(18-10)7-6-11-5-3-2-4-8-21(11)15(14)20-16(17)19-13/h9,11H,2-8H2,1H3
InChIKeyRXOBFXKMGKZKMH-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.17
Rot. Bonds

About 17-fluoro-13-methyl-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),11,13,15(19),16-pentaene

17-fluoro-13-methyl-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),11,13,15(19),16-pentaene (PubChem CID 172597458) has the molecular formula C16H19FN4 and a molecular weight of 286.35 g/mol. Its IUPAC name is 17-fluoro-13-methyl-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),11,13,15(19),16-pentaene.

Molecular Properties

Compound Name17-fluoro-13-methyl-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),11,13,15(19),16-pentaene
PubChem CID172597458
Molecular FormulaC16H19FN4
Molecular Weight286.35 g/mol
Exact Mass286.16
IUPAC Name17-fluoro-13-methyl-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),11,13,15(19),16-pentaene
SMILESCc1cc2nc(F)nc3c2c(n1)CCC1CCCCCN31
InChIInChI=1S/C16H19FN4/c1-10-9-13-14-12(18-10)7-6-11-5-3-2-4-8-21(11)15(14)20-16(17)19-13/h9,11H,2-8H2,1H3
InChIKeyRXOBFXKMGKZKMH-UHFFFAOYSA-N
XLogP3.17
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12,16-dimethyl-2,11,15,17-tetrazatetracyclo[8.7.1.02,8.014,18]octadeca-1(17),10,12,14(18),15-pentaene;ethane
CID 172597725
13,17-dimethyl-9-oxa-2,12,16,18-tetrazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11,13,15(19),16-pentaene
CID 172597534
ethane;15-fluoro-11-methyl-8-methylidene-2,10,14,16-tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaene
CID 172597618
13,17-dimethyl-6-oxa-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),11,13,15(19),16-pentaen-5-one;ethane
CID 172597517
11,15-dimethyl-7-oxa-2,10,14,16-tetrazatetracyclo[7.7.1.02,5.013,17]heptadeca-1(16),9,11,13(17),14-pentaene;ethane
CID 172597557
4-methyl-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene
CID 81136966
ethane;4-(5-ethyl-2-fluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)-1,4-oxazepan-7-one
CID 172597651
4-cyclohexylsulfanyl-2-fluoro-6-methylpyrimidine
CID 164645833
13-chloro-14-fluoro-17-methylsulfanyl-10-oxa-2,12,16,18-tetrazatetracyclo[9.7.1.02,7.015,19]nonadeca-1(18),11,13,15(19),16-pentaene
CID 176612552
1-[4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-yl]azepane
CID 112925859
[1-(2-chloro-6-methylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116635708
11-methyl-2,8,12-triazatricyclo[6.4.0.02,6]dodeca-1(12),10-dien-9-one
CID 101391483

Frequently Asked Questions

What is the IUPAC name of 17-fluoro-13-methyl-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),11,13,15(19),16-pentaene?
The IUPAC name of 17-fluoro-13-methyl-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),11,13,15(19),16-pentaene (CID 172597458) is 17-fluoro-13-methyl-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),11,13,15(19),16-pentaene.
What is the SMILES notation for 17-fluoro-13-methyl-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),11,13,15(19),16-pentaene?
The canonical SMILES for 17-fluoro-13-methyl-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),11,13,15(19),16-pentaene is Cc1cc2nc(F)nc3c2c(n1)CCC1CCCCCN31.
What is the InChIKey of 17-fluoro-13-methyl-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),11,13,15(19),16-pentaene?
The InChIKey is RXOBFXKMGKZKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4/c1-10-9-13-14-12(18-10)7-6-11-5-3-2-4-8-21(11)15(14)20-16(17)19-13/h9,11H,2-8H2,1H3.
What are the key properties of 17-fluoro-13-methyl-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),11,13,15(19),16-pentaene?
17-fluoro-13-methyl-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),11,13,15(19),16-pentaene has a molecular weight of 286.35 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 17-fluoro-13-methyl-2,12,16,18-tetrazatetracyclo[9.7.1.02,8.015,19]nonadeca-1(18),11,13,15(19),16-pentaene is sourced from PubChem (CID 172597458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).