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

C17H21FN4 — CID 172597618

IUPACethane;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
SMILESC=C1c2nc(C)cc3nc(F)nc(c23)N2CCCCC12.CC
InChIInChI=1S/C15H15FN4.C2H6/c1-8-7-10-12-13(17-8)9(2)11-5-3-4-6-20(11)14(12)19-15(16)18-10;1-2/h7,11H,2-6H2,1H3;1-2H3
InChIKeyFXRJREYPXPGQFD-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.88
Rot. Bonds

About 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

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 (PubChem CID 172597618) has the molecular formula C17H21FN4 and a molecular weight of 300.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethane;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
PubChem CID172597618
Molecular FormulaC17H21FN4
Molecular Weight300.38 g/mol
Exact Mass300.18
IUPAC Nameethane;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
SMILESC=C1c2nc(C)cc3nc(F)nc(c23)N2CCCCC12.CC
InChIInChI=1S/C15H15FN4.C2H6/c1-8-7-10-12-13(17-8)9(2)11-5-3-4-6-20(11)14(12)19-15(16)18-10;1-2/h7,11H,2-6H2,1H3;1-2H3
InChIKeyFXRJREYPXPGQFD-UHFFFAOYSA-N
XLogP3.88
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
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
4-(2-fluoro-5,7-dimethylpyrido[4,3-d]pyrimidin-4-yl)morpholine
CID 172597684
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
4,6-dimethyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine
CID 95817120
ethane;4-(5-ethyl-2-fluoro-7-methylpyrido[4,3-d]pyrimidin-4-yl)-1,4-oxazepan-7-one
CID 172597651
4-[2-(2-chloroethyl)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 55184425
4-methyl-2-[(2R)-1-methylpiperidin-2-yl]-6-(1H-pyrazol-5-yl)pyrimidine
CID 124971579
9,15-dimethyl-2,9,14,16,18-pentazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaen-8-one
CID 175758733
4-methyl-1,3,8-triazatricyclo[8.5.0.02,7]pentadeca-2(7),3,5-trien-9-one
CID 81136783
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-2-(2-pyrimidin-2-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 167798581

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C1c2nc(C)cc3nc(F)nc(c23)N2CCCCC12.CC.
What is the InChIKey of 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?
The InChIKey is FXRJREYPXPGQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4.C2H6/c1-8-7-10-12-13(17-8)9(2)11-5-3-4-6-20(11)14(12)19-15(16)18-10;1-2/h7,11H,2-6H2,1H3;1-2H3.
What are the key properties of 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?
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 has a molecular weight of 300.38 g/mol, XLogP of 3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 172597618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).