(7S)-13-fluoro-4,6-dimethyl-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene

C16H17FN2 — CID 176977522

IUPAC(7S)-13-fluoro-4,6-dimethyl-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene
SMILESCC1C=C2c3ccc(F)c4ccn(c34)C[C@H]2N(C)C1
InChIInChI=1S/C16H17FN2/c1-10-7-13-11-3-4-14(17)12-5-6-19(16(11)12)9-15(13)18(2)8-10/h3-7,10,15H,8-9H2,1-2H3/t10?,15-/m1/s1
InChIKeyFOMLCLAITMELBF-GENIYJEYSA-N
MW256.32 g/mol
LogP3.13
Rot. Bonds

About (7S)-13-fluoro-4,6-dimethyl-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene

(7S)-13-fluoro-4,6-dimethyl-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene (PubChem CID 176977522) has the molecular formula C16H17FN2 and a molecular weight of 256.32 g/mol. Its IUPAC name is (7S)-13-fluoro-4,6-dimethyl-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene.

Molecular Properties

Compound Name(7S)-13-fluoro-4,6-dimethyl-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene
PubChem CID176977522
Molecular FormulaC16H17FN2
Molecular Weight256.32 g/mol
Exact Mass256.14
IUPAC Name(7S)-13-fluoro-4,6-dimethyl-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene
SMILESCC1C=C2c3ccc(F)c4ccn(c34)C[C@H]2N(C)C1
InChIInChI=1S/C16H17FN2/c1-10-7-13-11-3-4-14(17)12-5-6-19(16(11)12)9-15(13)18(2)8-10/h3-7,10,15H,8-9H2,1-2H3/t10?,15-/m1/s1
InChIKeyFOMLCLAITMELBF-GENIYJEYSA-N
XLogP3.13
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (7S)-13-fluoro-4,6-dimethyl-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7S)-13-fluoro-4,6-dimethyl-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene?
The IUPAC name of (7S)-13-fluoro-4,6-dimethyl-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene (CID 176977522) is (7S)-13-fluoro-4,6-dimethyl-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene.
What is the SMILES notation for (7S)-13-fluoro-4,6-dimethyl-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene?
The canonical SMILES for (7S)-13-fluoro-4,6-dimethyl-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene is CC1C=C2c3ccc(F)c4ccn(c34)C[C@H]2N(C)C1.
What is the InChIKey of (7S)-13-fluoro-4,6-dimethyl-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene?
The InChIKey is FOMLCLAITMELBF-GENIYJEYSA-N. The full InChI is InChI=1S/C16H17FN2/c1-10-7-13-11-3-4-14(17)12-5-6-19(16(11)12)9-15(13)18(2)8-10/h3-7,10,15H,8-9H2,1-2H3/t10?,15-/m1/s1.
What are the key properties of (7S)-13-fluoro-4,6-dimethyl-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene?
(7S)-13-fluoro-4,6-dimethyl-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene has a molecular weight of 256.32 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-13-fluoro-4,6-dimethyl-6,9-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,10,12,14-pentaene is sourced from PubChem (CID 176977522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).